PubChemLite - Europine (C16H27NO6)

Structural Information

Molecular Formula

SMILES

C[C@@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)(C(C)(C)O)O)OC

InChI

InChI=1S/C16H27NO6/c1-10(22-4)16(21,15(2,3)20)14(19)23-9-11-5-7-17-8-6-12(18)13(11)17/h5,10,12-13,18,20-21H,6-9H2,1-4H3/t10-,12-,13+,16-/m0/s1

InChIKey

ZNEMYFCJOCCUJN-VFFTVRQLSA-N

Compound name

[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-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]+	330.19112	174.0
[M+Na]+	352.17306	177.1
[M+NH4]+	347.21766	177.3
[M+K]+	368.14700	181.3
[M-H]-	328.17656	168.8
[M+Na-2H]-	350.15851	171.2
[M]+	329.18329	172.3
[M]-	329.18439	172.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

330.19112

174.0

[M+Na]+

352.17306

177.1

[M+NH4]+

347.21766

177.3

[M+K]+

368.14700

181.3

[M-H]-

328.17656

168.8

[M+Na-2H]-

350.15851

171.2

[M]+

329.18329

172.3

[M]-

329.18439

172.3

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

Europine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe