CID 11815351

2-butylimidazole

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: 3925
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]+	125.10733	126.6
[M+Na]+	147.08927	137.9
[M+NH4]+	142.13387	134.8
[M+K]+	163.06321	133.3
[M-H]-	123.09277	126.8
[M+Na-2H]-	145.07472	132.4
[M]+	124.09950	128.1
[M]-	124.10060	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe