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]+ 155.11789 132.8
[M+Na]+ 177.09983 139.1
[M-H]- 153.10333 134.8
[M+NH4]+ 172.14443 154.8
[M+K]+ 193.07377 137.0
[M+H-H2O]+ 137.10787 126.8
[M+HCOO]- 199.10881 152.0
[M+CH3COO]- 213.12446 177.3
[M+Na-2H]- 175.08528 136.1
[M]+ 154.11006 126.3
[M]- 154.11116 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.