CID 22063713

4-hydroxypicolinonitrile

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

175
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 123.8
[M+Na]+ 143.02158 136.5
[M+NH4]+ 138.06619 128.6
[M+K]+ 158.99552 127.6
[M-H]- 119.02509 117.7
[M+Na-2H]- 141.00703 128.5
[M]+ 120.03182 123.0
[M]- 120.03291 123.0
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