CID 361240

Nsc624193

Structural Information

Molecular Formula
C6H14O4S5
SMILES
C(CSSSCCCS(=O)O)CS(=O)O
InChI
InChI=1S/C6H14O4S5/c7-14(8)5-1-3-11-13-12-4-2-6-15(9)10/h1-6H2,(H,7,8)(H,9,10)
InChIKey
RGJBMRVLHFWLIO-UHFFFAOYSA-N
Compound name
3-(3-sulfinopropyltrisulfanyl)propane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.94955 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.95683 166.6
[M+Na]+ 332.93877 169.1
[M-H]- 308.94227 159.1
[M+NH4]+ 327.98337 176.8
[M+K]+ 348.91271 157.2
[M+H-H2O]+ 292.94681 159.5
[M+HCOO]- 354.94775 156.2
[M+CH3COO]- 368.96340 198.0
[M+Na-2H]- 330.92422 164.8
[M]+ 309.94900 162.1
[M]- 309.95010 162.1
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.