CID 3032897

N,n'-di-n-hexyldithiooxamide

Structural Information

Molecular Formula
C14H28N2S2
SMILES
CCCCCCNC(=S)C(=S)NCCCCCC
InChI
InChI=1S/C14H28N2S2/c1-3-5-7-9-11-15-13(17)14(18)16-12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,17)(H,16,18)
InChIKey
VVCNSLBJUGLILN-UHFFFAOYSA-N
Compound name
N,N'-dihexylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

288.1694 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17668 170.9
[M+Na]+ 311.15862 176.1
[M+NH4]+ 306.20322 177.5
[M+K]+ 327.13256 166.0
[M-H]- 287.16212 171.0
[M+Na-2H]- 309.14407 170.8
[M]+ 288.16885 172.1
[M]- 288.16995 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe