CID 13581851

Thiolane-3-carboxylic acid

Structural Information

Molecular Formula
C5H8O2S
SMILES
C1CSCC1C(=O)O
InChI
InChI=1S/C5H8O2S/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)
InChIKey
BSNQHVPRAPQLSW-UHFFFAOYSA-N
Compound name
thiolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

132.0245 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.03178 126.5
[M+Na]+ 155.01372 133.3
[M-H]- 131.01722 128.7
[M+NH4]+ 150.05832 149.7
[M+K]+ 170.98766 132.2
[M+H-H2O]+ 115.02176 122.0
[M+HCOO]- 177.02270 142.9
[M+CH3COO]- 191.03835 165.3
[M+Na-2H]- 152.99917 127.4
[M]+ 132.02395 124.8
[M]- 132.02505 124.8
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

patents stripe