CID 44154027

Alpha-oxopyridine-4-acetonitrile

Structural Information

Molecular Formula
C7H4N2O
SMILES
C1=CN=CC=C1C(=O)C#N
InChI
InChI=1S/C7H4N2O/c8-5-7(10)6-1-3-9-4-2-6/h1-4H
InChIKey
GZKKBMGXUJZHSS-UHFFFAOYSA-N
Compound name
pyridine-4-carbonyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

132.03236 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.03964 125.1
[M+Na]+ 155.02158 135.1
[M-H]- 131.02508 126.9
[M+NH4]+ 150.06618 143.2
[M+K]+ 170.99552 132.9
[M+H-H2O]+ 115.02962 112.1
[M+HCOO]- 177.03056 144.7
[M+CH3COO]- 191.04621 184.4
[M+Na-2H]- 153.00703 132.5
[M]+ 132.03181 119.6
[M]- 132.03291 119.6
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