CID 23549

7160-01-2

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CC1=CC=C(C=C1)NC(=O)N(C)C

InChI

InChI=1S/C10H14N2O/c1-8-4-6-9(7-5-8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13)

InChIKey

QTERLAXNZRFFMZ-UHFFFAOYSA-N

Compound name

1,1-dimethyl-3-(4-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 729
Patents: 178.11061 Da
Monoisotopic Mass: 1.3
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]+	179.11789	139.9
[M+Na]+	201.09983	151.0
[M+NH4]+	196.14443	148.2
[M+K]+	217.07377	145.3
[M-H]-	177.10333	143.2
[M+Na-2H]-	199.08528	146.8
[M]+	178.11006	142.2
[M]-	178.11116	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe