CID 163043885

[(1s,6r,8as)-6-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(=O)N[C@@H]1CC[C@H]2[C@H](CCN2C1)OC(=O)C
InChI
InChI=1S/C12H20N2O3/c1-8(15)13-10-3-4-11-12(17-9(2)16)5-6-14(11)7-10/h10-12H,3-7H2,1-2H3,(H,13,15)/t10-,11+,12+/m1/s1
InChIKey
UQNSGOYQGBXKSN-WOPDTQHZSA-N
Compound name
[(1S,6R,8aS)-6-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.154676 155.9
[M+Na]+ 263.136618 160.1
[M-H]- 239.140124 157.9
[M+NH4]+ 258.181223 174.5
[M+K]+ 279.110558 158.9
[M+H-H2O]+ 223.144660 149.4
[M+HCOO]- 285.145601 172.9
[M+CH3COO]- 299.161251 194.0
[M+Na-2H]- 261.122066 156.0
[M]+ 240.14685142 152.7
[M]- 240.14794858 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.