CID 3032814

N,n'-di-n-propyldithiooxamide

Structural Information

Molecular Formula
C8H16N2S2
SMILES
CC(C)NC(=S)C(=S)NC(C)C
InChI
InChI=1S/C8H16N2S2/c1-5(2)9-7(11)8(12)10-6(3)4/h5-6H,1-4H3,(H,9,11)(H,10,12)
InChIKey
GSEFMUQOUPKBNV-UHFFFAOYSA-N
Compound name
N,N'-di(propan-2-yl)ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

204.07549 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.082766 145.7
[M+Na]+ 227.064708 149.5
[M-H]- 203.068214 145.2
[M+NH4]+ 222.109313 164.3
[M+K]+ 243.038648 146.3
[M+H-H2O]+ 187.072750 139.4
[M+HCOO]- 249.073691 154.8
[M+CH3COO]- 263.089341 191.1
[M+Na-2H]- 225.050156 142.3
[M]+ 204.07494142 144.5
[M]- 204.07603858 144.5
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