CID 118991

36503-55-6

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CCOC1=CC=C(C=C1)NC(=O)N(C)C

InChI

InChI=1S/C11H16N2O2/c1-4-15-10-7-5-9(6-8-10)12-11(14)13(2)3/h5-8H,4H2,1-3H3,(H,12,14)

InChIKey

ACOZWFISMVUEHN-UHFFFAOYSA-N

Compound name

3-(4-ethoxyphenyl)-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 208.12119 Da
Monoisotopic Mass: 1.2
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	147.0
[M+Na]+	231.110408	153.0
[M-H]-	207.113914	152.1
[M+NH4]+	226.155013	166.1
[M+K]+	247.084348	152.9
[M+H-H2O]+	191.118450	140.0
[M+HCOO]-	253.119391	173.2
[M+CH3COO]-	267.135041	194.5
[M+Na-2H]-	229.095856	152.0
[M]+	208.12064142	149.2
[M]-	208.12173858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe