CID 458045

1-ethyl-3-(o-tolyl)urea

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CCNC(=O)NC1=CC=CC=C1C

InChI

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

InChIKey

NSRJDXXKOSLQKG-UHFFFAOYSA-N

Compound name

1-ethyl-3-(2-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 19
Patents: 178.11061 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]+	179.117886	139.3
[M+Na]+	201.099828	145.6
[M-H]-	177.103334	143.0
[M+NH4]+	196.144433	159.0
[M+K]+	217.073768	143.8
[M+H-H2O]+	161.107870	132.9
[M+HCOO]-	223.108811	165.0
[M+CH3COO]-	237.124461	185.9
[M+Na-2H]-	199.085276	145.5
[M]+	178.11006142	138.3
[M]-	178.11115858	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe