CID 31530

2-heptyl-2-imidazoline

Structural Information

Molecular Formula

C₁₀H₂₀N₂

SMILES

CCCCCCCC1=NCCN1

InChI

InChI=1S/C10H20N2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h2-9H2,1H3,(H,11,12)

InChIKey

WVNBMMKXLDHERT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 168.16264 Da
Monoisotopic Mass: 2.2
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]+	169.169916	142.0
[M+Na]+	191.151858	147.4
[M-H]-	167.155364	140.4
[M+NH4]+	186.196463	160.8
[M+K]+	207.125798	144.8
[M+H-H2O]+	151.159900	134.5
[M+HCOO]-	213.160841	161.3
[M+CH3COO]-	227.176491	177.7
[M+Na-2H]-	189.137306	145.6
[M]+	168.16209142	140.6
[M]-	168.16318858	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe