PubChemLite - Europine n-oxide (C16H27NO7)

Structural Information

Molecular Formula

SMILES

CC(C(C(=O)OCC1=CC[N+]2(C1C(CC2)O)[O-])(C(C)(C)O)O)OC

InChI

InChI=1S/C16H27NO7/c1-10(23-4)16(21,15(2,3)20)14(19)24-9-11-5-7-17(22)8-6-12(18)13(11)17/h5,10,12-13,18,20-21H,6-9H2,1-4H3

InChIKey

UPYLKTQCLCBJQP-UHFFFAOYSA-N

Compound name

(7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoate

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]+	346.18602	180.4
[M+Na]+	368.16796	183.8
[M-H]-	344.17146	178.0
[M+NH4]+	363.21256	195.8
[M+K]+	384.14190	177.9
[M+H-H2O]+	328.17600	182.6
[M+HCOO]-	390.17694	190.4
[M+CH3COO]-	404.19259	192.3
[M+Na-2H]-	366.15341	185.0
[M]+	345.17819	178.8
[M]-	345.17929	178.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

346.18602

180.4

[M+Na]+

368.16796

183.8

[M-H]-

344.17146

178.0

[M+NH4]+

363.21256

195.8

[M+K]+

384.14190

177.9

[M+H-H2O]+

328.17600

182.6

[M+HCOO]-

390.17694

190.4

[M+CH3COO]-

404.19259

192.3

[M+Na-2H]-

366.15341

185.0

[M]+

345.17819

178.8

[M]-

345.17929

178.8

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

Europine n-oxide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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