CID 3847698

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

Structural Information

Molecular Formula
C6H4N4
SMILES
CC1=NC(=C(N1)C#N)C#N
InChI
InChI=1S/C6H4N4/c1-4-9-5(2-7)6(3-8)10-4/h1H3,(H,9,10)
InChIKey
ZEAVNOQDMHVDLU-UHFFFAOYSA-N
Compound name
2-methyl-1H-imidazole-4,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

132.0436 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.050876 137.5
[M+Na]+ 155.032818 147.6
[M-H]- 131.036324 137.8
[M+NH4]+ 150.077423 150.5
[M+K]+ 171.006758 145.2
[M+H-H2O]+ 115.040860 121.0
[M+HCOO]- 177.041801 148.8
[M+CH3COO]- 191.057451 206.9
[M+Na-2H]- 153.018266 139.9
[M]+ 132.04305142 128.5
[M]- 132.04414858 128.5
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