CID 80209

Pentane, 3-(cyclohexylimino)-

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

CCC(=NC1CCCCC1)CC

InChI

InChI=1S/C11H21N/c1-3-10(4-2)12-11-8-6-5-7-9-11/h11H,3-9H2,1-2H3

InChIKey

HLLIMVQANSQDRE-UHFFFAOYSA-N

Compound name

N-cyclohexylpentan-3-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 167.1674 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]+	168.17468	141.6
[M+Na]+	190.15662	144.6
[M-H]-	166.16012	145.1
[M+NH4]+	185.20122	162.2
[M+K]+	206.13056	143.7
[M+H-H2O]+	150.16466	135.2
[M+HCOO]-	212.16560	162.8
[M+CH3COO]-	226.18125	185.4
[M+Na-2H]-	188.14207	145.2
[M]+	167.16685	137.5
[M]-	167.16795	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe