CID 97661

Brn 1319473

Structural Information

Molecular Formula
C7H15NO5S3
SMILES
C1CS(=O)(=O)CCC1NCCSS(=O)(=O)O
InChI
InChI=1S/C7H15NO5S3/c9-15(10)5-1-7(2-6-15)8-3-4-14-16(11,12)13/h7-8H,1-6H2,(H,11,12,13)
InChIKey
IWVSFKONLPYAOW-UHFFFAOYSA-N
Compound name
1,1-dioxo-4-(2-sulfosulfanylethylamino)thiane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.01123 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.018506 158.6
[M+Na]+ 312.000448 163.1
[M-H]- 288.003954 157.7
[M+NH4]+ 307.045053 174.0
[M+K]+ 327.974388 157.0
[M+H-H2O]+ 272.008490 153.6
[M+HCOO]- 334.009431 161.6
[M+CH3COO]- 348.025081 191.4
[M+Na-2H]- 309.985896 162.1
[M]+ 289.01068142 157.5
[M]- 289.01177858 157.5
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.