CID 130115843

5-formyl-4-methylpyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H7NO3
SMILES
CC1=CC(=NC=C1C=O)C(=O)O
InChI
InChI=1S/C8H7NO3/c1-5-2-7(8(11)12)9-3-6(5)4-10/h2-4H,1H3,(H,11,12)
InChIKey
IJMRQRGALVMZTQ-UHFFFAOYSA-N
Compound name
5-formyl-4-methylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.04259 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 132.2
[M+Na]+ 188.03181 144.7
[M+NH4]+ 183.07641 139.0
[M+K]+ 204.00575 140.0
[M-H]- 164.03531 132.1
[M+Na-2H]- 186.01726 137.7
[M]+ 165.04204 133.7
[M]- 165.04314 133.7
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.