CID 25285

2-imidazoline, 2-octyl-

Structural Information

Molecular Formula

C₁₁H₂₂N₂

SMILES

CCCCCCCCC1=NCCN1

InChI

InChI=1S/C11H22N2/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h2-10H2,1H3,(H,12,13)

InChIKey

RPEKHMWFNMGIHP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 54
Patents: 182.1783 Da
Monoisotopic Mass: 2.8
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]+	183.18558	146.5
[M+Na]+	205.16752	151.5
[M-H]-	181.17102	144.7
[M+NH4]+	200.21212	164.7
[M+K]+	221.14146	148.6
[M+H-H2O]+	165.17556	138.8
[M+HCOO]-	227.17650	165.5
[M+CH3COO]-	241.19215	180.7
[M+Na-2H]-	203.15297	149.6
[M]+	182.17775	145.5
[M]-	182.17885	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe