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

12
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

literature stripe

Patent stripe

patents stripe