CID 3032572

Propylenebis(dithiocarbamic) acid

Structural Information

Molecular Formula
C5H10N2S4
SMILES
CC(CNC(=S)S)NC(=S)S
InChI
InChI=1S/C5H10N2S4/c1-3(7-5(10)11)2-6-4(8)9/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11)
InChIKey
IJIHYLHFNAWUGR-UHFFFAOYSA-N
Compound name
1-(dithiocarboxyamino)propan-2-ylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

43
References

40878
Patents

225.97269 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.97997 145.0
[M+Na]+ 248.96191 149.1
[M-H]- 224.96541 142.2
[M+NH4]+ 244.00651 160.7
[M+K]+ 264.93585 140.6
[M+H-H2O]+ 208.96995 137.8
[M+HCOO]- 270.97089 142.5
[M+CH3COO]- 284.98654 194.1
[M+Na-2H]- 246.94736 143.0
[M]+ 225.97214 140.1
[M]- 225.97324 140.1
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.