CID 2566070

2-chloro-n-{[1-(dimethylamino)cyclohexyl]methyl}acetamide hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₁ClN₂O

SMILES

CN(C)C1(CCCCC1)CNC(=O)CCl

InChI

InChI=1S/C11H21ClN2O/c1-14(2)11(6-4-3-5-7-11)9-13-10(15)8-12/h3-9H2,1-2H3,(H,13,15)

InChIKey

ICIGXMKPOAIAKM-UHFFFAOYSA-N

Compound name

2-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.13425 Da
Monoisotopic Mass: 1.8
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]+	233.141526	154.5
[M+Na]+	255.123468	158.1
[M-H]-	231.126974	158.1
[M+NH4]+	250.168073	174.8
[M+K]+	271.097408	156.2
[M+H-H2O]+	215.131510	149.4
[M+HCOO]-	277.132451	171.4
[M+CH3COO]-	291.148101	196.3
[M+Na-2H]-	253.108916	157.8
[M]+	232.13370142	152.8
[M]-	232.13479858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.