CID 53724492

4-oxo-octahydro-1h-quinolizine-1-carboxylic acid

Structural Information

Molecular Formula
C10H15NO3
SMILES
C1CCN2C(C1)C(CCC2=O)C(=O)O
InChI
InChI=1S/C10H15NO3/c12-9-5-4-7(10(13)14)8-3-1-2-6-11(8)9/h7-8H,1-6H2,(H,13,14)
InChIKey
CWFBMCBZTDMKRK-UHFFFAOYSA-N
Compound name
4-oxo-1,2,3,6,7,8,9,9a-octahydroquinolizine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.112476 142.4
[M+Na]+ 220.094418 147.2
[M-H]- 196.097924 143.0
[M+NH4]+ 215.139023 160.3
[M+K]+ 236.068358 145.2
[M+H-H2O]+ 180.102460 136.1
[M+HCOO]- 242.103401 156.3
[M+CH3COO]- 256.119051 181.4
[M+Na-2H]- 218.079866 145.3
[M]+ 197.10465142 136.0
[M]- 197.10574858 136.0
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.