CID 11815351

2-butyl-1h-imidazole

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CCCCC1=NC=CN1

InChI

InChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h5-6H,2-4H2,1H3,(H,8,9)

InChIKey

SLLDUURXGMDOCY-UHFFFAOYSA-N

Compound name

2-butyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 5109
Patents: 124.10005 Da
Monoisotopic Mass: 1.8
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]+	125.107326	126.3
[M+Na]+	147.089268	134.1
[M-H]-	123.092774	125.6
[M+NH4]+	142.133873	147.0
[M+K]+	163.063208	132.0
[M+H-H2O]+	107.097310	119.5
[M+HCOO]-	169.098251	148.1
[M+CH3COO]-	183.113901	168.2
[M+Na-2H]-	145.074716	132.6
[M]+	124.09950142	125.3
[M]-	124.10059858	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe