CID 65544737

2-methyl-3-(pyridin-2-yl)benzoic acid

Structural Information

Molecular Formula
C13H11NO2
SMILES
CC1=C(C=CC=C1C(=O)O)C2=CC=CC=N2
InChI
InChI=1S/C13H11NO2/c1-9-10(12-7-2-3-8-14-12)5-4-6-11(9)13(15)16/h2-8H,1H3,(H,15,16)
InChIKey
JMXMNHHISPYCJY-UHFFFAOYSA-N
Compound name
2-methyl-3-pyridin-2-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.07898 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 145.2
[M+Na]+ 236.06820 153.7
[M-H]- 212.07170 149.8
[M+NH4]+ 231.11280 161.8
[M+K]+ 252.04214 150.0
[M+H-H2O]+ 196.07624 137.8
[M+HCOO]- 258.07718 166.8
[M+CH3COO]- 272.09283 185.4
[M+Na-2H]- 234.05365 150.9
[M]+ 213.07843 145.0
[M]- 213.07953 145.0
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