CID 12867113

53244-92-1

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC=C2C(=C1)C=C(C(=O)N2)CC(=O)O
InChI
InChI=1S/C11H9NO3/c13-10(14)6-8-5-7-3-1-2-4-9(7)12-11(8)15/h1-5H,6H2,(H,12,15)(H,13,14)
InChIKey
BWBWECCBFYVYEH-UHFFFAOYSA-N
Compound name
2-(2-oxo-1H-quinolin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

203.05824 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 140.0
[M+Na]+ 226.04746 149.1
[M-H]- 202.05096 141.0
[M+NH4]+ 221.09206 157.5
[M+K]+ 242.02140 144.9
[M+H-H2O]+ 186.05550 133.7
[M+HCOO]- 248.05644 159.5
[M+CH3COO]- 262.07209 180.1
[M+Na-2H]- 224.03291 147.0
[M]+ 203.05769 139.3
[M]- 203.05879 139.3
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