CID 75089

Phenethylurea

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1=CC=C(C=C1)CCNC(=O)N

InChI

InChI=1S/C9H12N2O/c10-9(12)11-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,10,11,12)

InChIKey

ZMTSMVZAFDWQRM-UHFFFAOYSA-N

Compound name

2-phenylethylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 343
Patents: 164.09496 Da
Monoisotopic Mass: 0.9
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	135.6
[M+Na]+	187.08418	146.0
[M+NH4]+	182.12878	143.7
[M+K]+	203.05812	140.1
[M-H]-	163.08768	138.4
[M+Na-2H]-	185.06963	142.3
[M]+	164.09441	137.6
[M]-	164.09551	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe