CID 136303007

1289094-38-7

Structural Information

Molecular Formula
C6H5NO3
SMILES
C1=C(NC(=O)C(=C1)O)C=O
InChI
InChI=1S/C6H5NO3/c8-3-4-1-2-5(9)6(10)7-4/h1-3,9H,(H,7,10)
InChIKey
ZAOFBQFHJYJHHE-UHFFFAOYSA-N
Compound name
5-hydroxy-6-oxo-1H-pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

139.02695 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03423 122.3
[M+Na]+ 162.01617 132.5
[M-H]- 138.01967 122.8
[M+NH4]+ 157.06077 141.6
[M+K]+ 177.99011 129.7
[M+H-H2O]+ 122.02421 116.9
[M+HCOO]- 184.02515 144.6
[M+CH3COO]- 198.04080 166.4
[M+Na-2H]- 160.00162 129.7
[M]+ 139.02640 121.6
[M]- 139.02750 121.6
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