CID 7062197

6-hydroxynicotinonitrile

Structural Information

Molecular Formula
C6H4N2O
SMILES
C1=CC(=O)NC=C1C#N
InChI
InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,(H,8,9)
InChIKey
CCQUUHVUQQFTGV-UHFFFAOYSA-N
Compound name
6-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

409
Patents

120.032364 Da
Monoisotopic Mass

-0.4
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

literature stripe

Patent stripe

patents stripe