CID 362516

Nsc626539

Structural Information

Molecular Formula
C5H7OS4
SMILES
CSC1=C(C(=[S+]S1)SC)O
InChI
InChI=1S/C5H6OS4/c1-7-4-3(6)5(8-2)10-9-4/h1-2H3/p+1
InChIKey
AMSLVAGKYMPJGI-UHFFFAOYSA-O
Compound name
3,5-bis(methylsulfanyl)dithiol-1-ium-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.93797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.94525 134.2
[M+Na]+ 233.92719 144.0
[M-H]- 209.93069 135.7
[M+NH4]+ 228.97179 153.5
[M+K]+ 249.90113 131.4
[M+H-H2O]+ 193.93523 132.2
[M+HCOO]- 255.93617 135.7
[M+CH3COO]- 269.95182 177.4
[M+Na-2H]- 231.91264 135.0
[M]+ 210.93742 132.0
[M]- 210.93852 132.0
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.