CID 16637679

912617-78-8

Structural Information

Molecular Formula
C14H13NO3
SMILES
CC1=C(C=CC(=N1)C2=CC=C(C=C2)OC)C(=O)O
InChI
InChI=1S/C14H13NO3/c1-9-12(14(16)17)7-8-13(15-9)10-3-5-11(18-2)6-4-10/h3-8H,1-2H3,(H,16,17)
InChIKey
OXHDNOVGUIWOET-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-2-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 152.7
[M+Na]+ 266.07876 161.5
[M-H]- 242.08226 157.5
[M+NH4]+ 261.12336 168.3
[M+K]+ 282.05270 158.3
[M+H-H2O]+ 226.08680 145.0
[M+HCOO]- 288.08774 174.1
[M+CH3COO]- 302.10339 191.8
[M+Na-2H]- 264.06421 157.1
[M]+ 243.08899 154.6
[M]- 243.09009 154.6
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.