CID 853714

223600-51-9

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CC(C)(CO)NC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C11H16N2O2/c1-11(2,8-14)13-10(15)12-9-6-4-3-5-7-9/h3-7,14H,8H2,1-2H3,(H2,12,13,15)

InChIKey

OMOVNZOSGRVZPV-UHFFFAOYSA-N

Compound name

1-(1-hydroxy-2-methylpropan-2-yl)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 208.12119 Da
Monoisotopic Mass: 0.9
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]+	209.12847	147.1
[M+Na]+	231.11041	152.0
[M-H]-	207.11391	149.2
[M+NH4]+	226.15501	164.6
[M+K]+	247.08435	150.0
[M+H-H2O]+	191.11845	141.0
[M+HCOO]-	253.11939	169.7
[M+CH3COO]-	267.13504	187.7
[M+Na-2H]-	229.09586	153.8
[M]+	208.12064	145.2
[M]-	208.12174	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe