CID 12441924

67616-21-1

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

CN(C)C(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C11H16N2O/c1-13(2)11(14)12-9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,12,14)

InChIKey

UTVNIVWWOUWLSK-UHFFFAOYSA-N

Compound name

1,1-dimethyl-3-(2-phenylethyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 192.12627 Da
Monoisotopic Mass: 1.5
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]+	193.13355	144.7
[M+Na]+	215.11549	155.2
[M+NH4]+	210.16009	152.9
[M+K]+	231.08943	149.1
[M-H]-	191.11899	147.9
[M+Na-2H]-	213.10094	151.6
[M]+	192.12572	146.9
[M]-	192.12682	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe