CID 12782

2-imidazoline, 2-pentyl-

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CCCCCC1=NCCN1

InChI

InChI=1S/C8H16N2/c1-2-3-4-5-8-9-6-7-10-8/h2-7H2,1H3,(H,9,10)

InChIKey

RBRDDDOKFJWHNR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 691
Patents: 140.13135 Da
Monoisotopic Mass: 1.1
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]+	141.138626	133.0
[M+Na]+	163.120568	139.3
[M-H]-	139.124074	131.7
[M+NH4]+	158.165173	152.9
[M+K]+	179.094508	137.2
[M+H-H2O]+	123.128610	125.9
[M+HCOO]-	185.129551	153.0
[M+CH3COO]-	199.145201	171.6
[M+Na-2H]-	161.106016	137.7
[M]+	140.13080142	130.9
[M]-	140.13189858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe