CID 62214305

Methyl 3-hydroxythiolane-3-carboxylate

Structural Information

Molecular Formula

C₆H₁₀O₃S

SMILES

COC(=O)C1(CCSC1)O

InChI

InChI=1S/C6H10O3S/c1-9-5(7)6(8)2-3-10-4-6/h8H,2-4H2,1H3

InChIKey

KHMKIZOOAXYORP-UHFFFAOYSA-N

Compound name

methyl 3-hydroxythiolane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	163.042336	133.4
[M+Na]+	185.024278	140.5
[M-H]-	161.027784	135.7
[M+NH4]+	180.068883	157.5
[M+K]+	200.998218	139.8
[M+H-H2O]+	145.032320	129.7
[M+HCOO]-	207.033261	149.7
[M+CH3COO]-	221.048911	169.2
[M+Na-2H]-	183.009726	135.5
[M]+	162.03451142	133.8
[M]-	162.03560858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.