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

1
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

literature stripe

Patent stripe

patents stripe