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 131.5
[M+Na]+ 184.97015 139.5
[M-H]- 160.97365 133.8
[M+NH4]+ 180.01475 153.8
[M+K]+ 200.94409 136.3
[M+H-H2O]+ 144.97819 127.4
[M+HCOO]- 206.97913 142.3
[M+CH3COO]- 220.99478 170.7
[M+Na-2H]- 182.95560 129.7
[M]+ 161.98038 130.6
[M]- 161.98148 130.6
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.