CID 304622

13435-22-8

Structural Information

Molecular Formula

C₈H₁₄N₂

SMILES

CCCCN1C=CN=C1C

InChI

InChI=1S/C8H14N2/c1-3-4-6-10-7-5-9-8(10)2/h5,7H,3-4,6H2,1-2H3

InChIKey

WHLZPGRDRYCVRQ-UHFFFAOYSA-N

Compound name

1-butyl-2-methylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 965
Patents: 138.11569 Da
Monoisotopic Mass: 1.6
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]+	139.122966	129.7
[M+Na]+	161.104908	138.4
[M-H]-	137.108414	130.6
[M+NH4]+	156.149513	150.9
[M+K]+	177.078848	137.1
[M+H-H2O]+	121.112950	122.8
[M+HCOO]-	183.113891	152.7
[M+CH3COO]-	197.129541	175.1
[M+Na-2H]-	159.090356	135.3
[M]+	138.11514142	131.3
[M]-	138.11623858	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe