CID 3035121

Urea, 1-ethyl-2-thio-1-(o-tolyl)-

Structural Information

Molecular Formula

C₁₀H₁₄N₂S

SMILES

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

InChI

InChI=1S/C10H14N2S/c1-3-12(10(11)13)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H2,11,13)

InChIKey

PYUOBMAGFAHRKZ-UHFFFAOYSA-N

Compound name

1-ethyl-1-(2-methylphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.08777 Da
Monoisotopic Mass: 2.0
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]+	195.095046	142.5
[M+Na]+	217.076988	149.1
[M-H]-	193.080494	147.2
[M+NH4]+	212.121593	162.5
[M+K]+	233.050928	146.6
[M+H-H2O]+	177.085030	135.9
[M+HCOO]-	239.085971	162.2
[M+CH3COO]-	253.101621	191.1
[M+Na-2H]-	215.062436	144.0
[M]+	194.08722142	142.6
[M]-	194.08831858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe