CID 3676692

4-hydroxynicotinonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
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

literature stripe

Patent stripe

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