CID 2762821

2-methylisonicotinic acid

Structural Information

Molecular Formula
C7H7NO2
SMILES
CC1=NC=CC(=C1)C(=O)O
InChI
InChI=1S/C7H7NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4H,1H3,(H,9,10)
InChIKey
PMDHIMMPXRSDML-UHFFFAOYSA-N
Compound name
2-methylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1710
Patents

137.04768 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 125.6
[M+Na]+ 160.03690 138.4
[M+NH4]+ 155.08150 133.5
[M+K]+ 176.01084 133.3
[M-H]- 136.04040 126.3
[M+Na-2H]- 158.02235 132.3
[M]+ 137.04713 127.5
[M]- 137.04823 127.5
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