CID 15785598

4-hydroxy-5-methoxypyridine-2-carbaldehyde

Structural Information

Molecular Formula
C7H7NO3
SMILES
COC1=CNC(=CC1=O)C=O
InChI
InChI=1S/C7H7NO3/c1-11-7-3-8-5(4-9)2-6(7)10/h2-4H,1H3,(H,8,10)
InChIKey
UVMABDMIQMSWRL-UHFFFAOYSA-N
Compound name
5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

153.04259 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 125.9
[M+Na]+ 176.031808 136.1
[M-H]- 152.035314 127.7
[M+NH4]+ 171.076413 145.4
[M+K]+ 192.005748 134.0
[M+H-H2O]+ 136.039850 120.1
[M+HCOO]- 198.040791 149.4
[M+CH3COO]- 212.056441 172.0
[M+Na-2H]- 174.017256 133.4
[M]+ 153.04204142 127.4
[M]- 153.04313858 127.4
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