CID 9543259

Hydroxymonodemethylisoproturon

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

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

InChI

InChI=1S/C11H16N2O2/c1-11(2,15)8-4-6-9(7-5-8)13-10(14)12-3/h4-7,15H,1-3H3,(H2,12,13,14)

InChIKey

SEEFRMBNOSYQPH-UHFFFAOYSA-N

Compound name

1-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylurea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 0
Patents: 208.12119 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]+	209.128466	147.1
[M+Na]+	231.110408	152.9
[M-H]-	207.113914	149.5
[M+NH4]+	226.155013	164.9
[M+K]+	247.084348	151.0
[M+H-H2O]+	191.118450	141.2
[M+HCOO]-	253.119391	169.6
[M+CH3COO]-	267.135041	188.9
[M+Na-2H]-	229.095856	153.1
[M]+	208.12064142	145.5
[M]-	208.12173858	145.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.