CID 75176250

6-hydroxy-5-methylnicotinaldehyde

Structural Information

Molecular Formula
C7H7NO2
SMILES
CC1=CC(=CNC1=O)C=O
InChI
InChI=1S/C7H7NO2/c1-5-2-6(4-9)3-8-7(5)10/h2-4H,1H3,(H,8,10)
InChIKey
RZSDICQRAWACOU-UHFFFAOYSA-N
Compound name
5-methyl-6-oxo-1H-pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

137.04768 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 124.8
[M+Na]+ 160.03690 138.4
[M+NH4]+ 155.08150 132.5
[M+K]+ 176.01084 132.5
[M-H]- 136.04040 125.5
[M+Na-2H]- 158.02235 131.5
[M]+ 137.04713 126.8
[M]- 137.04823 126.8
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

patents stripe