CID 24729785

887973-34-4

Structural Information

Molecular Formula
C13H11NO2
SMILES
CC1=CC(=CC=C1)C2=CC(=CN=C2)C(=O)O
InChI
InChI=1S/C13H11NO2/c1-9-3-2-4-10(5-9)11-6-12(13(15)16)8-14-7-11/h2-8H,1H3,(H,15,16)
InChIKey
KQXMMUCUYGOXEX-UHFFFAOYSA-N
Compound name
5-(3-methylphenyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 146.3
[M+Na]+ 236.06820 161.3
[M+NH4]+ 231.11280 154.5
[M+K]+ 252.04214 154.5
[M-H]- 212.07170 149.8
[M+Na-2H]- 234.05365 155.5
[M]+ 213.07843 149.5
[M]- 213.07953 149.5
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

No patent data available for this compound.