CID 30746

Gd 131 hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₂ClN

SMILES

CCN(CCCl)CC1CCCCC1

InChI

InChI=1S/C11H22ClN/c1-2-13(9-8-12)10-11-6-4-3-5-7-11/h11H,2-10H2,1H3

InChIKey

PPIZFLOCKVEZSE-UHFFFAOYSA-N

Compound name

2-chloro-N-(cyclohexylmethyl)-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4
Patents: 203.14407 Da
Monoisotopic Mass: 3.6
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]+	204.15135	149.8
[M+Na]+	226.13329	153.2
[M-H]-	202.13679	153.0
[M+NH4]+	221.17789	169.8
[M+K]+	242.10723	150.8
[M+H-H2O]+	186.14133	144.0
[M+HCOO]-	248.14227	166.2
[M+CH3COO]-	262.15792	190.7
[M+Na-2H]-	224.11874	152.8
[M]+	203.14352	148.5
[M]-	203.14462	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe