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]+ 198.11248 142.4
[M+Na]+ 220.09442 147.2
[M-H]- 196.09792 143.0
[M+NH4]+ 215.13902 160.3
[M+K]+ 236.06836 145.2
[M+H-H2O]+ 180.10246 136.1
[M+HCOO]- 242.10340 156.3
[M+CH3COO]- 256.11905 181.4
[M+Na-2H]- 218.07987 145.3
[M]+ 197.10465 136.0
[M]- 197.10575 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.