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

3
Patents

205.0739 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 142.5
[M+Na]+ 228.063118 149.6
[M-H]- 204.066624 142.7
[M+NH4]+ 223.107723 159.7
[M+K]+ 244.037058 145.8
[M+H-H2O]+ 188.071160 136.3
[M+HCOO]- 250.072101 159.1
[M+CH3COO]- 264.087751 180.7
[M+Na-2H]- 226.048566 147.5
[M]+ 205.07335142 138.9
[M]- 205.07444858 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