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
4
Annotation Hits

3
References

1495
Patents

240.16602 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.17330 155.7
[M+Na]+ 263.15524 155.3
[M-H]- 239.15874 159.7
[M+NH4]+ 258.19984 172.2
[M+K]+ 279.12918 151.8
[M+H-H2O]+ 223.16328 148.2
[M+HCOO]- 285.16422 167.7
[M+CH3COO]- 299.17987 193.4
[M+Na-2H]- 261.14069 155.4
[M]+ 240.16547 145.4
[M]- 240.16657 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe