CID 22063713

2-cyano-4-hydroxypyridine

Structural Information

Molecular Formula
C6H4N2O
SMILES
C1=CNC(=CC1=O)C#N
InChI
InChI=1S/C6H4N2O/c7-4-5-3-6(9)1-2-8-5/h1-3H,(H,8,9)
InChIKey
ICOWSSBPPBHNCA-UHFFFAOYSA-N
Compound name
4-oxo-1H-pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

120.032364 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.03964 121.5
[M+Na]+ 143.02158 132.6
[M-H]- 119.02509 122.6
[M+NH4]+ 138.06619 139.9
[M+K]+ 158.99552 129.6
[M+H-H2O]+ 103.02962 109.2
[M+HCOO]- 165.03056 141.0
[M+CH3COO]- 179.04622 179.6
[M+Na-2H]- 141.00703 129.5
[M]+ 120.03182 115.0
[M]- 120.03291 115.1
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