CID 155821701

2460754-33-8

Structural Information

Molecular Formula

C₇H₁₀O₃S

SMILES

C1C(C2(COC2)CS1)C(=O)O

InChI

InChI=1S/C7H10O3S/c8-6(9)5-1-11-4-7(5)2-10-3-7/h5H,1-4H2,(H,8,9)

InChIKey

ZFTLYPMGTQUDQJ-UHFFFAOYSA-N

Compound name

2-oxa-6-thiaspiro[3.4]octane-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 174.03506 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]+	175.04234	131.3
[M+Na]+	197.02428	134.8
[M+NH4]+	192.06888	137.1
[M+K]+	212.99822	131.7
[M-H]-	173.02778	130.4
[M+Na-2H]-	195.00973	132.8
[M]+	174.03451	130.7
[M]-	174.03561	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.