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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	136.08693	126.3
[M+Na]+	158.06887	138.5
[M+NH4]+	153.11347	131.0
[M+K]+	174.04281	131.5
[M-H]-	134.07237	119.9
[M+Na-2H]-	156.05432	129.6
[M]+	135.07910	125.3
[M]-	135.08020	125.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.