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

5
Patents

148.01941 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.026686 129.4
[M+Na]+ 171.008628 136.4
[M-H]- 147.012134 130.4
[M+NH4]+ 166.053233 153.2
[M+K]+ 186.982568 135.0
[M+H-H2O]+ 131.016670 126.1
[M+HCOO]- 193.017611 144.5
[M+CH3COO]- 207.033261 164.3
[M+Na-2H]- 168.994076 131.6
[M]+ 148.01886142 127.7
[M]- 148.01995858 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