CID 82416567

1-amino-octahydroindolizin-3-one

Structural Information

Molecular Formula
C8H14N2O
SMILES
C1CCN2C(C1)C(CC2=O)N
InChI
InChI=1S/C8H14N2O/c9-6-5-8(11)10-4-2-1-3-7(6)10/h6-7H,1-5,9H2
InChIKey
VUBAJLGVZNDMGM-UHFFFAOYSA-N
Compound name
1-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 132.8
[M+Na]+ 177.099828 139.1
[M-H]- 153.103334 134.8
[M+NH4]+ 172.144433 154.8
[M+K]+ 193.073768 137.0
[M+H-H2O]+ 137.107870 126.8
[M+HCOO]- 199.108811 152.0
[M+CH3COO]- 213.124461 177.3
[M+Na-2H]- 175.085276 136.1
[M]+ 154.11006142 126.3
[M]- 154.11115858 126.3
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.