CID 18971349

5-sulfanylidenethiolane-3-carboxylic acid

Structural Information

Molecular Formula
C5H6O2S2
SMILES
C1C(CSC1=S)C(=O)O
InChI
InChI=1S/C5H6O2S2/c6-5(7)3-1-4(8)9-2-3/h3H,1-2H2,(H,6,7)
InChIKey
NLNFPVLIHKVQGW-UHFFFAOYSA-N
Compound name
5-sulfanylidenethiolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.98093 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.98821 132.7
[M+Na]+ 184.97015 140.6
[M+NH4]+ 180.01475 141.3
[M+K]+ 200.94409 134.3
[M-H]- 160.97365 133.0
[M+Na-2H]- 182.95560 134.2
[M]+ 161.98038 134.5
[M]- 161.98148 134.5
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.