CID 3307288

Cyclohexyl n-cyclohexylcarbamate

Structural Information

Molecular Formula

C₁₃H₂₃NO₂

SMILES

C1CCC(CC1)NC(=O)OC2CCCCC2

InChI

InChI=1S/C13H23NO2/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,14,15)

InChIKey

JEAXEFPTKIJYRO-UHFFFAOYSA-N

Compound name

cyclohexyl N-cyclohexylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 225.17288 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]+	226.180156	154.4
[M+Na]+	248.162098	154.3
[M-H]-	224.165604	158.6
[M+NH4]+	243.206703	171.1
[M+K]+	264.136038	152.8
[M+H-H2O]+	208.170140	146.7
[M+HCOO]-	270.171081	171.0
[M+CH3COO]-	284.186731	188.9
[M+Na-2H]-	246.147546	156.0
[M]+	225.17233142	145.1
[M]-	225.17342858	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe