CID 3003257

Ethanedithioamide, n,n-dipropyl-

Structural Information

Molecular Formula
C8H16N2S2
SMILES
CCCN(CCC)C(=S)C(=S)N
InChI
InChI=1S/C8H16N2S2/c1-3-5-10(6-4-2)8(12)7(9)11/h3-6H2,1-2H3,(H2,9,11)
InChIKey
RXHJXYIOWYGACR-UHFFFAOYSA-N
Compound name
N',N'-dipropylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

204.07549 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08277 145.4
[M+Na]+ 227.06471 150.0
[M-H]- 203.06821 145.8
[M+NH4]+ 222.10931 164.5
[M+K]+ 243.03865 146.8
[M+H-H2O]+ 187.07275 138.7
[M+HCOO]- 249.07369 156.5
[M+CH3COO]- 263.08934 192.7
[M+Na-2H]- 225.05016 142.5
[M]+ 204.07494 145.7
[M]- 204.07604 145.7
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

No patent data available for this compound.