CID 118991

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

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: 76
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]+	209.12847	147.4
[M+Na]+	231.11041	157.7
[M+NH4]+	226.15501	154.9
[M+K]+	247.08435	152.4
[M-H]-	207.11391	150.0
[M+Na-2H]-	229.09586	153.5
[M]+	208.12064	149.3
[M]-	208.12174	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe