CID 88670

1-ethyl-1-(o-tolyl)urea

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CCN(C1=CC=CC=C1C)C(=O)N

InChI

InChI=1S/C10H14N2O/c1-3-12(10(11)13)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H2,11,13)

InChIKey

DVVVPMHPSRJZQX-UHFFFAOYSA-N

Compound name

1-ethyl-1-(2-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 178.11061 Da
Monoisotopic Mass: 1.4
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]+	179.117886	139.6
[M+Na]+	201.099828	146.1
[M-H]-	177.103334	144.4
[M+NH4]+	196.144433	159.7
[M+K]+	217.073768	145.3
[M+H-H2O]+	161.107870	133.1
[M+HCOO]-	223.108811	165.2
[M+CH3COO]-	237.124461	189.4
[M+Na-2H]-	199.085276	144.0
[M]+	178.11006142	139.0
[M]-	178.11115858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe