CID 88626

Methyl-o-tolylurea

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CC1=CC=CC=C1N(C)C(=O)N

InChI

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

InChIKey

IWYDNHDPJXFEOV-UHFFFAOYSA-N

Compound name

1-methyl-1-(2-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 164.09496 Da
Monoisotopic Mass: 1.1
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	134.9
[M+Na]+	187.08418	141.8
[M-H]-	163.08768	139.9
[M+NH4]+	182.12878	155.5
[M+K]+	203.05812	141.3
[M+H-H2O]+	147.09222	128.6
[M+HCOO]-	209.09316	160.9
[M+CH3COO]-	223.10881	186.3
[M+Na-2H]-	185.06963	139.9
[M]+	164.09441	134.0
[M]-	164.09551	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe