CID 119054873

1936319-38-8

Structural Information

Molecular Formula

SMILES

C1C(=O)CC12CS(=O)(=O)C2

InChI

InChI=1S/C6H8O3S/c7-5-1-6(2-5)3-10(8,9)4-6/h1-4H2

InChIKey

XVLHJMGDFVPZRU-UHFFFAOYSA-N

Compound name

2,2-dioxo-2lambda6-thiaspiro[3.3]heptan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 160.01941 Da
Monoisotopic Mass: -1.1
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]+	161.02669	115.9
[M+Na]+	183.00863	121.4
[M-H]-	159.01213	121.6
[M+NH4]+	178.05323	127.1
[M+K]+	198.98257	125.6
[M+H-H2O]+	143.01667	104.2
[M+HCOO]-	205.01761	130.9
[M+CH3COO]-	219.03326	185.1
[M+Na-2H]-	180.99408	121.8
[M]+	160.01886	133.5
[M]-	160.01996	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe