CID 3034096

Disodium 1,3-propanediylbiscarbamodithioate

Structural Information

Molecular Formula
C5H10N2S4
SMILES
C(CNC(=S)S)CNC(=S)S
InChI
InChI=1S/C5H10N2S4/c8-4(9)6-2-1-3-7-5(10)11/h1-3H2,(H2,6,8,9)(H2,7,10,11)
InChIKey
NFMYEYYJLWHHNH-UHFFFAOYSA-N
Compound name
3-(dithiocarboxyamino)propylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

225.97269 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.97997 144.6
[M+Na]+ 248.96191 149.1
[M-H]- 224.96541 141.8
[M+NH4]+ 244.00651 160.4
[M+K]+ 264.93585 140.1
[M+H-H2O]+ 208.96995 137.3
[M+HCOO]- 270.97089 143.2
[M+CH3COO]- 284.98654 193.3
[M+Na-2H]- 246.94736 143.2
[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

patents stripe