CID 79338328

Pyrrolidin-2-ylmethyl n-cyclohexylcarbamate hydrochloride

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

C1CCC(CC1)NC(=O)OCC2CCCN2

InChI

InChI=1S/C12H22N2O2/c15-12(14-10-5-2-1-3-6-10)16-9-11-7-4-8-13-11/h10-11,13H,1-9H2,(H,14,15)

InChIKey

MJTQAKWQSBCIFP-UHFFFAOYSA-N

Compound name

pyrrolidin-2-ylmethyl N-cyclohexylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.16812 Da
Monoisotopic Mass: 1.9
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]+	227.175396	154.8
[M+Na]+	249.157338	155.6
[M-H]-	225.160844	156.7
[M+NH4]+	244.201943	171.4
[M+K]+	265.131278	153.5
[M+H-H2O]+	209.165380	146.8
[M+HCOO]-	271.166321	171.2
[M+CH3COO]-	285.181971	185.5
[M+Na-2H]-	247.142786	155.2
[M]+	226.16757142	146.0
[M]-	226.16866858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.