CID 80971

Quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H7NO2
SMILES
C1=CC=C2C(=C1)C=C(C=N2)C(=O)O
InChI
InChI=1S/C10H7NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H,12,13)
InChIKey
DJXNJVFEFSWHLY-UHFFFAOYSA-N
Compound name
quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

4831
Patents

173.04768 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05496 132.7
[M+Na]+ 196.03690 141.6
[M-H]- 172.04040 134.9
[M+NH4]+ 191.08150 152.0
[M+K]+ 212.01084 138.6
[M+H-H2O]+ 156.04494 126.3
[M+HCOO]- 218.04588 153.7
[M+CH3COO]- 232.06153 177.0
[M+Na-2H]- 194.02235 141.4
[M]+ 173.04713 132.3
[M]- 173.04823 132.3
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