CID 22055170

116680-33-2

Structural Information

Molecular Formula

C₈H₁₄N₂

SMILES

CC1=NC=CN1CC(C)C

InChI

InChI=1S/C8H14N2/c1-7(2)6-10-5-4-9-8(10)3/h4-5,7H,6H2,1-3H3

InChIKey

SVNWKKJQEFIURY-UHFFFAOYSA-N

Compound name

2-methyl-1-(2-methylpropyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2556
Patents: 138.11569 Da
Monoisotopic Mass: 1.7
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]+	139.12297	130.0
[M+Na]+	161.10491	138.6
[M-H]-	137.10841	131.2
[M+NH4]+	156.14951	151.3
[M+K]+	177.07885	137.6
[M+H-H2O]+	121.11295	123.3
[M+HCOO]-	183.11389	152.1
[M+CH3COO]-	197.12954	175.9
[M+Na-2H]-	159.09036	134.5
[M]+	138.11514	131.1
[M]-	138.11624	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe