CID 80558

Urea, 1-methyl-1-(p-tolyl)-

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

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

InChI

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

InChIKey

JPJWFNHMOPQSBQ-UHFFFAOYSA-N

Compound name

1-methyl-1-(4-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 164.09496 Da
Monoisotopic Mass: 0.8
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	135.3
[M+Na]+	187.08418	146.3
[M+NH4]+	182.12878	143.7
[M+K]+	203.05812	141.1
[M-H]-	163.08768	138.5
[M+Na-2H]-	185.06963	142.0
[M]+	164.09441	137.6
[M]-	164.09551	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe