CID 4594662

Urea, n'-cyclohexyl-n,n-dimethyl-

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CN(C)C(=O)NC1CCCCC1

InChI

InChI=1S/C9H18N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,10,12)

InChIKey

PZWXYRDNQYUIIU-UHFFFAOYSA-N

Compound name

3-cyclohexyl-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 519
Patents: 170.1419 Da
Monoisotopic Mass: 1.4
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]+	171.14918	140.0
[M+Na]+	193.13112	142.8
[M-H]-	169.13462	143.9
[M+NH4]+	188.17572	160.1
[M+K]+	209.10506	143.3
[M+H-H2O]+	153.13916	133.4
[M+HCOO]-	215.14010	162.1
[M+CH3COO]-	229.15575	186.3
[M+Na-2H]-	191.11657	143.7
[M]+	170.14135	135.2
[M]-	170.14245	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe