PubChemLite - [7-[(e)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl 3-hydroxy-2,4-dimethyl-5-oxooxolane-3-carboxylate (C20H27NO7)

Structural Information

Molecular Formula

SMILES

C/C=C(\C)/C(=O)OC1CCN2C1C(=CC2)COC(=O)C3(C(C(=O)OC3C)C)O

InChI

InChI=1S/C20H27NO7/c1-5-11(2)17(22)28-15-7-9-21-8-6-14(16(15)21)10-26-19(24)20(25)12(3)18(23)27-13(20)4/h5-6,12-13,15-16,25H,7-10H2,1-4H3/b11-5+

InChIKey

LZKFLVDOCDILCY-VZUCSPMQSA-N

Compound name

[7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3-hydroxy-2,4-dimethyl-5-oxooxolane-3-carboxylate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	394.18602	191.5
[M+Na]+	416.16796	196.6
[M-H]-	392.17146	197.2
[M+NH4]+	411.21256	207.7
[M+K]+	432.14190	196.0
[M+H-H2O]+	376.17600	188.6
[M+HCOO]-	438.17694	205.4
[M+CH3COO]-	452.19259	217.8
[M+Na-2H]-	414.15341	184.9
[M]+	393.17819	195.0
[M]-	393.17929	195.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

394.18602

191.5

[M+Na]+

416.16796

196.6

[M-H]-

392.17146

197.2

[M+NH4]+

411.21256

207.7

[M+K]+

432.14190

196.0

[M+H-H2O]+

376.17600

188.6

[M+HCOO]-

438.17694

205.4

[M+CH3COO]-

452.19259

217.8

[M+Na-2H]-

414.15341

184.9

[M]+

393.17819

195.0

[M]-

393.17929

195.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

[7-[(e)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl 3-hydroxy-2,4-dimethyl-5-oxooxolane-3-carboxylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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