CID 3033319

Oxamide, n,n'-dipentyldithio-

Structural Information

Molecular Formula
C12H24N2S2
SMILES
CCCCCNC(=S)C(=S)NCCCCC
InChI
InChI=1S/C12H24N2S2/c1-3-5-7-9-13-11(15)12(16)14-10-8-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKey
UTOHWFSACBQCJZ-UHFFFAOYSA-N
Compound name
N,N'-dipentylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.1381 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14538 161.3
[M+Na]+ 283.12732 164.1
[M-H]- 259.13082 159.9
[M+NH4]+ 278.17192 177.9
[M+K]+ 299.10126 158.8
[M+H-H2O]+ 243.13536 154.1
[M+HCOO]- 305.13630 171.4
[M+CH3COO]- 319.15195 201.1
[M+Na-2H]- 281.11277 158.2
[M]+ 260.13755 162.6
[M]- 260.13865 162.6
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