CID 22134403

3-hydroxythiolane-3-carboxylic acid

Structural Information

Molecular Formula
C5H8O3S
SMILES
C1CSCC1(C(=O)O)O
InChI
InChI=1S/C5H8O3S/c6-4(7)5(8)1-2-9-3-5/h8H,1-3H2,(H,6,7)
InChIKey
CXLWIYNXEYYARW-UHFFFAOYSA-N
Compound name
3-hydroxythiolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

148.01941 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.02669 129.4
[M+Na]+ 171.00863 136.4
[M-H]- 147.01213 130.4
[M+NH4]+ 166.05323 153.2
[M+K]+ 186.98257 135.0
[M+H-H2O]+ 131.01667 126.1
[M+HCOO]- 193.01761 144.5
[M+CH3COO]- 207.03326 164.3
[M+Na-2H]- 168.99408 131.6
[M]+ 148.01886 127.7
[M]- 148.01996 127.7
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

patents stripe