CID 853713

N-cyclohexyl-n'-(2-hydroxy-1,1-dimethylethyl)urea

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC(C)(CO)NC(=O)NC1CCCCC1

InChI

InChI=1S/C11H22N2O2/c1-11(2,8-14)13-10(15)12-9-6-4-3-5-7-9/h9,14H,3-8H2,1-2H3,(H2,12,13,15)

InChIKey

BVJSMHNAYYOCPO-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-(1-hydroxy-2-methylpropan-2-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 214.16812 Da
Monoisotopic Mass: 1.1
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]+	215.175396	151.3
[M+Na]+	237.157338	153.1
[M-H]-	213.160844	152.1
[M+NH4]+	232.201943	168.3
[M+K]+	253.131278	151.8
[M+H-H2O]+	197.165380	145.3
[M+HCOO]-	259.166321	169.4
[M+CH3COO]-	273.181971	188.9
[M+Na-2H]-	235.142786	155.1
[M]+	214.16757142	145.1
[M]-	214.16866858	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe