CID 119081822

5-hydroxy-6-methylpyridine-2-carbaldehyde

Structural Information

Molecular Formula
C7H7NO2
SMILES
CC1=C(C=CC(=N1)C=O)O
InChI
InChI=1S/C7H7NO2/c1-5-7(10)3-2-6(4-9)8-5/h2-4,10H,1H3
InChIKey
CYTXLBGTKGMAPB-UHFFFAOYSA-N
Compound name
5-hydroxy-6-methylpyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

137.04768 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 123.8
[M+Na]+ 160.036898 133.9
[M-H]- 136.040404 125.6
[M+NH4]+ 155.081503 144.1
[M+K]+ 176.010838 131.9
[M+H-H2O]+ 120.044940 118.3
[M+HCOO]- 182.045881 147.0
[M+CH3COO]- 196.061531 170.6
[M+Na-2H]- 158.022346 131.4
[M]+ 137.04713142 124.6
[M]- 137.04822858 124.6
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

patents stripe