CID 81605

7176-65-0

Structural Information

Molecular Formula
C3H9N3O3S2
SMILES
C(CSS(=O)(=O)O)N=C(N)N
InChI
InChI=1S/C3H9N3O3S2/c4-3(5)6-1-2-10-11(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)
InChIKey
BESWVQPILXAJAZ-UHFFFAOYSA-N
Compound name
1-(diaminomethylideneamino)-2-sulfosulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.00853 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01581 137.3
[M+Na]+ 221.99775 142.9
[M-H]- 198.00125 135.8
[M+NH4]+ 217.04235 154.7
[M+K]+ 237.97169 139.2
[M+H-H2O]+ 182.00579 130.7
[M+HCOO]- 244.00673 150.2
[M+CH3COO]- 258.02238 184.5
[M+Na-2H]- 219.98320 139.1
[M]+ 199.00798 136.0
[M]- 199.00908 136.0
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.