CID 9013

Dulcin

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)

InChIKey

GGLIEWRLXDLBBF-UHFFFAOYSA-N

Compound name

(4-ethoxyphenyl)urea

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 37
References: 5824
Patents: 180.08987 Da
Monoisotopic Mass: 1.0
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]+	181.09715	138.4
[M+Na]+	203.07909	148.6
[M+NH4]+	198.12369	145.9
[M+K]+	219.05303	143.5
[M-H]-	179.08259	140.7
[M+Na-2H]-	201.06454	144.4
[M]+	180.08932	140.2
[M]-	180.09042	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe