CID 853782

(4-ethylphenyl)urea

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CCC1=CC=C(C=C1)NC(=O)N

InChI

InChI=1S/C9H12N2O/c1-2-7-3-5-8(6-4-7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)

InChIKey

PCKCTBMQZSHNNS-UHFFFAOYSA-N

Compound name

(4-ethylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 164.09496 Da
Monoisotopic Mass: 1.6
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]+	165.10224	135.4
[M+Na]+	187.08418	146.1
[M+NH4]+	182.12878	143.4
[M+K]+	203.05812	140.4
[M-H]-	163.08768	138.1
[M+Na-2H]-	185.06963	141.8
[M]+	164.09441	137.4
[M]-	164.09551	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe