CID 9543260

4'-(2-hydroxyisopropyl)phenylurea

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC(C)(C1=CC=C(C=C1)NC(=O)N)O

InChI

InChI=1S/C10H14N2O2/c1-10(2,14)7-3-5-8(6-4-7)12-9(11)13/h3-6,14H,1-2H3,(H3,11,12,13)

InChIKey

GUDSIKYHFAFJOS-UHFFFAOYSA-N

Compound name

[4-(2-hydroxypropan-2-yl)phenyl]urea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 1
Patents: 194.10553 Da
Monoisotopic Mass: 0.8
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]+	195.112806	142.7
[M+Na]+	217.094748	148.9
[M-H]-	193.098254	144.8
[M+NH4]+	212.139353	160.7
[M+K]+	233.068688	146.8
[M+H-H2O]+	177.102790	137.0
[M+HCOO]-	239.103731	164.9
[M+CH3COO]-	253.119381	185.9
[M+Na-2H]-	215.080196	148.1
[M]+	194.10498142	139.8
[M]-	194.10607858	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe