CID 16782986

1-cyclohexyl-1-ethylthiourea

Structural Information

Molecular Formula

C₉H₁₈N₂S

SMILES

CCN(C1CCCCC1)C(=S)N

InChI

InChI=1S/C9H18N2S/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,12)

InChIKey

VGBZVQGJJBVFAS-UHFFFAOYSA-N

Compound name

1-cyclohexyl-1-ethylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.11906 Da
Monoisotopic Mass: 1.9
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]+	187.12634	142.3
[M+Na]+	209.10828	149.8
[M+NH4]+	204.15288	151.3
[M+K]+	225.08222	142.7
[M-H]-	185.11178	145.4
[M+Na-2H]-	207.09373	146.3
[M]+	186.11851	144.4
[M]-	186.11961	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.