CID 604442

2-methylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C11H9NO2
SMILES
CC1=NC2=CC=CC=C2C(=C1)C(=O)O
InChI
InChI=1S/C11H9NO2/c1-7-6-9(11(13)14)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H,13,14)
InChIKey
UIDHNPTVQFNWOJ-UHFFFAOYSA-N
Compound name
2-methylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

231
Patents

187.06332 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.070596 137.2
[M+Na]+ 210.052538 146.6
[M-H]- 186.056044 139.6
[M+NH4]+ 205.097143 156.2
[M+K]+ 226.026478 143.3
[M+H-H2O]+ 170.060580 130.8
[M+HCOO]- 232.061521 157.8
[M+CH3COO]- 246.077171 181.2
[M+Na-2H]- 208.037986 144.6
[M]+ 187.06277142 137.6
[M]- 187.06386858 137.6
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