CID 61338558

4-hydroxythiane-4-carboxylic acid

Structural Information

Molecular Formula

C₆H₁₀O₃S

SMILES

C1CSCCC1(C(=O)O)O

InChI

InChI=1S/C6H10O3S/c7-5(8)6(9)1-3-10-4-2-6/h9H,1-4H2,(H,7,8)

InChIKey

FZYKJBAASYSRCW-UHFFFAOYSA-N

Compound name

4-hydroxythiane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 162.03506 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.04234	132.3
[M+Na]+	185.02428	140.7
[M+NH4]+	180.06888	141.7
[M+K]+	200.99822	133.2
[M-H]-	161.02778	132.3
[M+Na-2H]-	183.00973	136.9
[M]+	162.03451	133.8
[M]-	162.03561	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe