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]+ 290.01851 158.6
[M+Na]+ 312.00045 163.1
[M-H]- 288.00395 157.7
[M+NH4]+ 307.04505 174.0
[M+K]+ 327.97439 157.0
[M+H-H2O]+ 272.00849 153.6
[M+HCOO]- 334.00943 161.6
[M+CH3COO]- 348.02508 191.4
[M+Na-2H]- 309.98590 162.1
[M]+ 289.01068 157.5
[M]- 289.01178 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.