CID 69684

Cyclohexylurea

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

C1CCC(CC1)NC(=O)N

InChI

InChI=1S/C7H14N2O/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)

InChIKey

WUESWDIHTKHGQA-UHFFFAOYSA-N

Compound name

cyclohexylurea

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 4
References: 3343
Patents: 142.11061 Da
Monoisotopic Mass: 0.5
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]+	143.11789	130.8
[M+Na]+	165.09983	134.3
[M-H]-	141.10333	133.0
[M+NH4]+	160.14443	151.0
[M+K]+	181.07377	133.5
[M+H-H2O]+	125.10787	124.8
[M+HCOO]-	187.10881	152.5
[M+CH3COO]-	201.12446	176.8
[M+Na-2H]-	163.08528	135.3
[M]+	142.11006	123.1
[M]-	142.11116	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe