CID 583268

1-methyl-1h-imidazole-4,5-dicarbonitrile

Structural Information

Molecular Formula
C6H4N4
SMILES
CN1C=NC(=C1C#N)C#N
InChI
InChI=1S/C6H4N4/c1-10-4-9-5(2-7)6(10)3-8/h4H,1H3
InChIKey
SUOVGHDPXJUFME-UHFFFAOYSA-N
Compound name
1-methylimidazole-4,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

132.0436 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.05088 154.1
[M+Na]+ 155.03282 162.7
[M+NH4]+ 150.07742 154.7
[M+K]+ 171.00676 154.0
[M-H]- 131.03632 143.3
[M+Na-2H]- 153.01827 153.5
[M]+ 132.04305 150.9
[M]- 132.04415 150.9
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