CID 90355228

3-ethenyl-1lambda6-thiolane-1,1-dione

Structural Information

Molecular Formula

C₆H₁₀O₂S

SMILES

C=CC1CCS(=O)(=O)C1

InChI

InChI=1S/C6H10O2S/c1-2-6-3-4-9(7,8)5-6/h2,6H,1,3-5H2

InChIKey

YFCSVEXPQCMXSF-UHFFFAOYSA-N

Compound name

3-ethenylthiolane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 146.04015 Da
Monoisotopic Mass: 0.6
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]+	147.04743	126.4
[M+Na]+	169.02937	135.8
[M-H]-	145.03287	130.6
[M+NH4]+	164.07397	152.2
[M+K]+	185.00331	133.8
[M+H-H2O]+	129.03741	123.0
[M+HCOO]-	191.03835	145.4
[M+CH3COO]-	205.05400	169.2
[M+Na-2H]-	167.01482	129.3
[M]+	146.03960	127.0
[M]-	146.04070	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe