CID 176521026

2-cyano-3,3-dimercaptoacrylamide disodium salt

Structural Information

Molecular Formula
C4H4N2OS2
SMILES
C(=C(C(=O)N)C(=S)S)=N
InChI
InChI=1S/C4H4N2OS2/c5-1-2(3(6)7)4(8)9/h5H,(H2,6,7)(H,8,9)
InChIKey
JQNCSNCKPLKMAS-UHFFFAOYSA-N
Compound name
2-carbamoyl-3-iminoprop-2-enedithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

159.9765 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.98378 130.6
[M+Na]+ 182.96572 136.7
[M-H]- 158.96922 130.1
[M+NH4]+ 178.01032 150.2
[M+K]+ 198.93966 132.6
[M+H-H2O]+ 142.97376 124.8
[M+HCOO]- 204.97470 142.0
[M+CH3COO]- 218.99035 179.2
[M+Na-2H]- 180.95117 129.1
[M]+ 159.97595 127.6
[M]- 159.97705 127.6
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.