CID 25284

2-imidazoline, 2-butyl-

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

CCCCC1=NCCN1

InChI

InChI=1S/C7H14N2/c1-2-3-4-7-8-5-6-9-7/h2-6H2,1H3,(H,8,9)

InChIKey

XTRFSGCFRISMDG-UHFFFAOYSA-N

Compound name

2-butyl-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 126.1157 Da
Monoisotopic Mass: 0.6
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]+	127.12298	128.5
[M+Na]+	149.10492	138.8
[M+NH4]+	144.14952	136.6
[M+K]+	165.07886	134.4
[M-H]-	125.10842	128.5
[M+Na-2H]-	147.09037	133.3
[M]+	126.11515	129.7
[M]-	126.11625	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe