CID 154577316

2418708-70-8

Structural Information

Molecular Formula

C₇H₁₀O₅S

SMILES

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

InChI

InChI=1S/C7H10O5S/c8-6(9)5-1-13(10,11)4-7(5)2-12-3-7/h5H,1-4H2,(H,8,9)

InChIKey

BAYOEORUPYECMW-UHFFFAOYSA-N

Compound name

6,6-dioxo-2-oxa-6lambda6-thiaspiro[3.4]octane-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.02489 Da
Monoisotopic Mass: -1.4
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]+	207.032166	132.1
[M+Na]+	229.014108	138.0
[M-H]-	205.017614	137.1
[M+NH4]+	224.058713	148.4
[M+K]+	244.988048	140.9
[M+H-H2O]+	189.022150	124.8
[M+HCOO]-	251.023091	146.1
[M+CH3COO]-	265.038741	178.7
[M+Na-2H]-	226.999556	136.4
[M]+	206.02434142	142.2
[M]-	206.02543858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.