CID 10265934

Dtxsid5049362

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CCCCN1CN(C=C1)C

InChI

InChI=1S/C8H16N2/c1-3-4-5-10-7-6-9(2)8-10/h6-7H,3-5,8H2,1-2H3

InChIKey

KAIPKTYOBMEXRR-UHFFFAOYSA-N

Compound name

1-butyl-3-methyl-2H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 544
References: 15204
Patents: 140.13135 Da
Monoisotopic Mass: 1.9
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]+	141.13863	131.8
[M+Na]+	163.12057	139.5
[M-H]-	139.12407	132.4
[M+NH4]+	158.16517	152.9
[M+K]+	179.09451	138.4
[M+H-H2O]+	123.12861	124.9
[M+HCOO]-	185.12955	153.4
[M+CH3COO]-	199.14520	175.4
[M+Na-2H]-	161.10602	136.4
[M]+	140.13080	132.0
[M]-	140.13190	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe