CID 12332011

1-oxa-6lambda6-thiaspiro[2.5]octane-6,6-dione

Structural Information

Molecular Formula

C₆H₁₀O₃S

SMILES

C1CS(=O)(=O)CCC12CO2

InChI

InChI=1S/C6H10O3S/c7-10(8)3-1-6(2-4-10)5-9-6/h1-5H2

InChIKey

ROXDNVLSYUMDMB-UHFFFAOYSA-N

Compound name

1-oxa-6lambda6-thiaspiro[2.5]octane 6,6-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 162.03506 Da
Monoisotopic Mass: -0.4
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]+	163.042336	129.5
[M+Na]+	185.024278	139.2
[M-H]-	161.027784	137.0
[M+NH4]+	180.068883	148.4
[M+K]+	200.998218	140.4
[M+H-H2O]+	145.032320	125.5
[M+HCOO]-	207.033261	145.1
[M+CH3COO]-	221.048911	173.8
[M+Na-2H]-	183.009726	137.6
[M]+	162.03451142	132.7
[M]-	162.03560858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe