CID 75306

4,5-dimethyl-1h-imidazole

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

CC1=C(N=CN1)C

InChI

InChI=1S/C5H8N2/c1-4-5(2)7-3-6-4/h3H,1-2H3,(H,6,7)

InChIKey

YSWBFLWKAIRHEI-UHFFFAOYSA-N

Compound name

4,5-dimethyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 6829
Patents: 96.06875 Da
Monoisotopic Mass: 0.9
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]+	97.076026	117.3
[M+Na]+	119.05797	129.4
[M+NH4]+	114.10257	125.8
[M+K]+	135.03191	125.5
[M-H]-	95.061474	117.7
[M+Na-2H]-	117.04342	123.5
[M]+	96.068201	119.0
[M]-	96.069299	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe