CID 727200

1,3-dicyclohexylthiourea

Structural Information

Molecular Formula

C₁₃H₂₄N₂S

SMILES

C1CCC(CC1)NC(=S)NC2CCCCC2

InChI

InChI=1S/C13H24N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)

InChIKey

KAJICSGLHKRDLN-UHFFFAOYSA-N

Compound name

1,3-dicyclohexylthiourea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 1481
Patents: 240.16602 Da
Monoisotopic Mass: 3.6
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]+	241.17330	156.1
[M+Na]+	263.15524	163.2
[M+NH4]+	258.19984	165.5
[M+K]+	279.12918	154.6
[M-H]-	239.15874	161.2
[M+Na-2H]-	261.14069	161.2
[M]+	240.16547	158.7
[M]-	240.16657	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe