CID 84720891

2-oxo-decahydroquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C10H15NO3
SMILES
C1CCC2C(C1)C(CC(=O)N2)C(=O)O
InChI
InChI=1S/C10H15NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h6-8H,1-5H2,(H,11,12)(H,13,14)
InChIKey
KZIFWTRFOOLYIE-UHFFFAOYSA-N
Compound name
2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.112476 143.1
[M+Na]+ 220.094418 147.5
[M-H]- 196.097924 142.3
[M+NH4]+ 215.139023 160.3
[M+K]+ 236.068358 144.6
[M+H-H2O]+ 180.102460 137.1
[M+HCOO]- 242.103401 155.5
[M+CH3COO]- 256.119051 179.0
[M+Na-2H]- 218.079866 145.5
[M]+ 197.10465142 134.8
[M]- 197.10574858 134.8
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.