CID 361238

Nsc624192

Structural Information

Molecular Formula
C10H22O4S5
SMILES
C(CCSSSCCCCCS(=O)O)CCS(=O)O
InChI
InChI=1S/C10H22O4S5/c11-18(12)9-5-1-3-7-15-17-16-8-4-2-6-10-19(13)14/h1-10H2,(H,11,12)(H,13,14)
InChIKey
IHKYEXFUJIUKGT-UHFFFAOYSA-N
Compound name
5-(5-sulfinopentyltrisulfanyl)pentane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.01218 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01946 179.3
[M+Na]+ 389.00140 180.2
[M-H]- 365.00490 171.1
[M+NH4]+ 384.04600 187.6
[M+K]+ 404.97534 167.6
[M+H-H2O]+ 349.00944 171.6
[M+HCOO]- 411.01038 168.0
[M+CH3COO]- 425.02603 207.9
[M+Na-2H]- 386.98685 176.6
[M]+ 366.01163 176.0
[M]- 366.01273 176.0
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.