CID 22766108

2-(4-oxo-1,4-dihydroquinolin-1-yl)acetic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC=C2C(=C1)C(=O)C=CN2CC(=O)O
InChI
InChI=1S/C11H9NO3/c13-10-5-6-12(7-11(14)15)9-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,15)
InChIKey
IVUSDAZOMBVFMI-UHFFFAOYSA-N
Compound name
2-(4-oxoquinolin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

203.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 139.4
[M+Na]+ 226.04746 148.9
[M-H]- 202.05096 141.8
[M+NH4]+ 221.09206 157.6
[M+K]+ 242.02140 145.6
[M+H-H2O]+ 186.05550 132.8
[M+HCOO]- 248.05644 160.4
[M+CH3COO]- 262.07209 182.6
[M+Na-2H]- 224.03291 146.8
[M]+ 203.05769 140.5
[M]- 203.05879 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe