CID 440898

5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid

Structural Information

Molecular Formula
C8H7NO4
SMILES
CC1=NC=C(C(=C1O)C(=O)O)C=O
InChI
InChI=1S/C8H7NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2-3,11H,1H3,(H,12,13)
InChIKey
JTWNWNJMNSJYDL-UHFFFAOYSA-N
Compound name
5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

49
Patents

181.0375 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04478 133.3
[M+Na]+ 204.02672 143.2
[M-H]- 180.03022 134.0
[M+NH4]+ 199.07132 151.0
[M+K]+ 220.00066 141.1
[M+H-H2O]+ 164.03476 127.7
[M+HCOO]- 226.03570 154.2
[M+CH3COO]- 240.05135 176.7
[M+Na-2H]- 202.01217 137.8
[M]+ 181.03695 134.5
[M]- 181.03805 134.5
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.