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

23
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 145.7
[M+Na]+ 227.06471 149.5
[M-H]- 203.06821 145.2
[M+NH4]+ 222.10931 164.3
[M+K]+ 243.03865 146.3
[M+H-H2O]+ 187.07275 139.4
[M+HCOO]- 249.07369 154.8
[M+CH3COO]- 263.08934 191.1
[M+Na-2H]- 225.05016 142.3
[M]+ 204.07494 144.5
[M]- 204.07604 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