CID 119031221

1-methyl-2-(pyrrolidin-2-yl)cyclohexan-1-ol

Structural Information

Molecular Formula

C₁₁H₂₁NO

SMILES

CC1(CCCCC1C2CCCN2)O

InChI

InChI=1S/C11H21NO/c1-11(13)7-3-2-5-9(11)10-6-4-8-12-10/h9-10,12-13H,2-8H2,1H3

InChIKey

JFUPEGCVMBPGCT-UHFFFAOYSA-N

Compound name

1-methyl-2-pyrrolidin-2-ylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.16231 Da
Monoisotopic Mass: 1.6
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]+	184.169586	145.7
[M+Na]+	206.151528	149.4
[M-H]-	182.155034	147.1
[M+NH4]+	201.196133	166.2
[M+K]+	222.125468	146.3
[M+H-H2O]+	166.159570	139.6
[M+HCOO]-	228.160511	160.5
[M+CH3COO]-	242.176161	174.9
[M+Na-2H]-	204.136976	147.1
[M]+	183.16176142	136.1
[M]-	183.16285858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.