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

101
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 126.3
[M+Na]+ 182.96572 131.3
[M-H]- 158.96922 124.8
[M+NH4]+ 178.01032 145.0
[M+K]+ 198.93966 122.7
[M+H-H2O]+ 142.97376 125.3
[M+HCOO]- 204.97470 137.3
[M+CH3COO]- 218.99035 170.5
[M+Na-2H]- 180.95117 127.2
[M]+ 159.97595 120.3
[M]- 159.97705 120.3
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.