CID 19427257

4,5-dimethyl-1h-imidazole-2-carbonitrile

Structural Information

Molecular Formula
C6H7N3
SMILES
CC1=C(N=C(N1)C#N)C
InChI
InChI=1S/C6H7N3/c1-4-5(2)9-6(3-7)8-4/h1-2H3,(H,8,9)
InChIKey
VEJJTIVGAPRBKJ-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1H-imidazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

121.063995 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.071271 121.6
[M+Na]+ 144.053213 132.8
[M-H]- 120.056719 121.3
[M+NH4]+ 139.097818 140.5
[M+K]+ 160.027153 130.5
[M+H-H2O]+ 104.061255 108.4
[M+HCOO]- 166.062196 140.0
[M+CH3COO]- 180.077846 182.1
[M+Na-2H]- 142.038661 126.9
[M]+ 121.06344642 115.8
[M]- 121.06454358 115.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe