CID 361248

Nsc624197

Structural Information

Molecular Formula
C10H22O4S6
SMILES
C(CCSSCCCS(=O)O)CSSCCCS(=O)O
InChI
InChI=1S/C10H22O4S6/c11-19(12)9-3-7-17-15-5-1-2-6-16-18-8-4-10-20(13)14/h1-10H2,(H,11,12)(H,13,14)
InChIKey
FYENQAQBIBIZGR-UHFFFAOYSA-N
Compound name
3-[4-(3-sulfinopropyldisulfanyl)butyldisulfanyl]propane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.98422 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.99150 192.6
[M+Na]+ 420.97344 192.6
[M-H]- 396.97694 182.5
[M+NH4]+ 416.01804 198.1
[M+K]+ 436.94738 176.7
[M+H-H2O]+ 380.98148 184.1
[M+HCOO]- 442.98242 175.6
[M+CH3COO]- 456.99807 214.0
[M+Na-2H]- 418.95889 190.9
[M]+ 397.98367 184.2
[M]- 397.98477 184.2
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.