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]+ 198.11248 143.1
[M+Na]+ 220.09442 147.5
[M-H]- 196.09792 142.3
[M+NH4]+ 215.13902 160.3
[M+K]+ 236.06836 144.6
[M+H-H2O]+ 180.10246 137.1
[M+HCOO]- 242.10340 155.5
[M+CH3COO]- 256.11905 179.0
[M+Na-2H]- 218.07987 145.5
[M]+ 197.10465 134.8
[M]- 197.10575 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.