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]+ 136.08693 123.3
[M+Na]+ 158.06887 135.4
[M-H]- 134.07237 124.5
[M+NH4]+ 153.11347 142.7
[M+K]+ 174.04281 133.7
[M+H-H2O]+ 118.07691 110.1
[M+HCOO]- 180.07785 142.9
[M+CH3COO]- 194.09350 188.3
[M+Na-2H]- 156.05432 128.1
[M]+ 135.07910 119.9
[M]- 135.08020 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.