CID 2824676

Ethanedithioamide, n1,n2-dicyclohexyl-

Structural Information

Molecular Formula
C14H24N2S2
SMILES
C1CCC(CC1)NC(=S)C(=S)NC2CCCCC2
InChI
InChI=1S/C14H24N2S2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)
InChIKey
TVTXGOPUBNYSCO-UHFFFAOYSA-N
Compound name
N,N'-dicyclohexylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

54
Patents

284.1381 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.145376 163.6
[M+Na]+ 307.127318 162.9
[M-H]- 283.130824 166.7
[M+NH4]+ 302.171923 178.3
[M+K]+ 323.101258 157.6
[M+H-H2O]+ 267.135360 156.3
[M+HCOO]- 329.136301 168.7
[M+CH3COO]- 343.151951 200.3
[M+Na-2H]- 305.112766 160.7
[M]+ 284.13755142 153.4
[M]- 284.13864858 153.4
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