CID 165754352

2166640-77-1

Structural Information

Molecular Formula
C6H8O2S
SMILES
C1C2C1(CSC2)C(=O)O
InChI
InChI=1S/C6H8O2S/c7-5(8)6-1-4(6)2-9-3-6/h4H,1-3H2,(H,7,8)
InChIKey
DXOVQIIFFSGPKZ-UHFFFAOYSA-N
Compound name
3-thiabicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.0245 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.03178 132.7
[M+Na]+ 167.01372 142.9
[M+NH4]+ 162.05832 143.8
[M+K]+ 182.98766 137.6
[M-H]- 143.01722 140.0
[M+Na-2H]- 164.99917 139.1
[M]+ 144.02395 137.7
[M]- 144.02505 137.7
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.