CID 82282952

2-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1CC(=O)NC2=C1C=C(C=C2)CC(=O)O
InChI
InChI=1S/C11H11NO3/c13-10-4-2-8-5-7(6-11(14)15)1-3-9(8)12-10/h1,3,5H,2,4,6H2,(H,12,13)(H,14,15)
InChIKey
TYEWITXXLBKGLA-UHFFFAOYSA-N
Compound name
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

205.0739 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 142.5
[M+Na]+ 228.06312 149.6
[M-H]- 204.06662 142.7
[M+NH4]+ 223.10772 159.7
[M+K]+ 244.03706 145.8
[M+H-H2O]+ 188.07116 136.3
[M+HCOO]- 250.07210 159.1
[M+CH3COO]- 264.08775 180.7
[M+Na-2H]- 226.04857 147.5
[M]+ 205.07335 138.9
[M]- 205.07445 138.9
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

patents stripe