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

66
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 135.4
[M+Na]+ 155.03282 145.8
[M-H]- 131.03632 136.5
[M+NH4]+ 150.07742 148.9
[M+K]+ 171.00676 143.9
[M+H-H2O]+ 115.04086 118.7
[M+HCOO]- 177.04180 147.7
[M+CH3COO]- 191.05745 208.6
[M+Na-2H]- 153.01827 138.3
[M]+ 132.04305 127.6
[M]- 132.04415 127.6
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