CID 135611796

2-cyano-3,3-dimercaptoacrylamide disodium salt

Structural Information

Molecular Formula
C4H4N2OS2
SMILES
C(=N)[C+](C(=O)[NH-])C(=S)S
InChI
InChI=1S/C4H4N2OS2/c5-1-2(3(6)7)4(8)9/h1,5H,(H2-,6,7,8,9)
InChIKey
QFPUQTUAOUNHFZ-UHFFFAOYSA-N
Compound name
(2-methanimidoyl-3-sulfanyl-3-sulfanylidenepropanoyl)azanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

159.9765 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.98378 127.5
[M+Na]+ 182.96572 135.4
[M+NH4]+ 178.01032 135.3
[M+K]+ 198.93966 130.5
[M-H]- 158.96922 128.2
[M+Na-2H]- 180.95117 129.1
[M]+ 159.97595 129.2
[M]- 159.97705 129.2
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.