CID 200812

2756-68-5

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

CC1=CC=CC=C1NC(=O)N(C)C(=O)N

InChI

InChI=1S/C10H13N3O2/c1-7-5-3-4-6-8(7)12-10(15)13(2)9(11)14/h3-6H,1-2H3,(H2,11,14)(H,12,15)

InChIKey

WGIONQAOTNUQJR-UHFFFAOYSA-N

Compound name

1-carbamoyl-1-methyl-3-(2-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.10077 Da
Monoisotopic Mass: 1.2
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]+	208.108046	146.3
[M+Na]+	230.089988	151.9
[M-H]-	206.093494	151.1
[M+NH4]+	225.134593	164.6
[M+K]+	246.063928	151.7
[M+H-H2O]+	190.098030	139.2
[M+HCOO]-	252.098971	172.3
[M+CH3COO]-	266.114621	195.4
[M+Na-2H]-	228.075436	149.7
[M]+	207.10022142	144.8
[M]-	207.10131858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.