CID 822960

2-methyl-6-phenylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C13H11NO2
SMILES
CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H11NO2/c1-9-11(13(15)16)7-8-12(14-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
InChIKey
XFJZPGWVRLQCHP-UHFFFAOYSA-N
Compound name
2-methyl-6-phenylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

14
Patents

213.07898 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.086256 145.2
[M+Na]+ 236.068198 153.7
[M-H]- 212.071704 149.8
[M+NH4]+ 231.112803 161.8
[M+K]+ 252.042138 150.0
[M+H-H2O]+ 196.076240 137.8
[M+HCOO]- 258.077181 166.8
[M+CH3COO]- 272.092831 185.4
[M+Na-2H]- 234.053646 150.9
[M]+ 213.07843142 145.0
[M]- 213.07952858 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

literature stripe

Patent stripe

patents stripe