CID 45087624

412278-72-9

Structural Information

Molecular Formula
C7H9N3
SMILES
CC1=C(N(C(=N1)C)C#N)C
InChI
InChI=1S/C7H9N3/c1-5-6(2)10(4-8)7(3)9-5/h1-3H3
InChIKey
MVDCIVTVRKZFHD-UHFFFAOYSA-N
Compound name
2,4,5-trimethylimidazole-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.07965 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.086926 123.3
[M+Na]+ 158.068868 135.4
[M-H]- 134.072374 124.5
[M+NH4]+ 153.113473 142.7
[M+K]+ 174.042808 133.7
[M+H-H2O]+ 118.076910 110.1
[M+HCOO]- 180.077851 142.9
[M+CH3COO]- 194.093501 188.3
[M+Na-2H]- 156.054316 128.1
[M]+ 135.07910142 119.9
[M]- 135.08019858 119.9
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

No patent data available for this compound.