CID 302471

10319-72-9

Structural Information

Molecular Formula
C4H10N2O3S2
SMILES
CN(C)C(=N)CSS(=O)(=O)O
InChI
InChI=1S/C4H10N2O3S2/c1-6(2)4(5)3-10-11(7,8)9/h5H,3H2,1-2H3,(H,7,8,9)
InChIKey
VAJZTLPJFFJLIZ-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-1-imino-2-sulfosulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.01329 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02057 139.1
[M+Na]+ 221.00251 144.9
[M-H]- 197.00601 138.9
[M+NH4]+ 216.04711 157.6
[M+K]+ 236.97645 142.5
[M+H-H2O]+ 181.01055 133.1
[M+HCOO]- 243.01149 151.1
[M+CH3COO]- 257.02714 184.3
[M+Na-2H]- 218.98796 140.8
[M]+ 198.01274 140.5
[M]- 198.01384 140.5
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.