CID 74963

2083-32-1

Structural Information

Molecular Formula

C₁₀H₁₆O₂S

SMILES

CC(=CCCC1=CCS(=O)(=O)C1)C

InChI

InChI=1S/C10H16O2S/c1-9(2)4-3-5-10-6-7-13(11,12)8-10/h4,6H,3,5,7-8H2,1-2H3

InChIKey

NKPPFFZEYUIUAH-UHFFFAOYSA-N

Compound name

3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 200.0871 Da
Monoisotopic Mass: 1.6
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]+	201.09438	146.5
[M+Na]+	223.07632	155.9
[M+NH4]+	218.12092	155.8
[M+K]+	239.05026	148.0
[M-H]-	199.07982	146.9
[M+Na-2H]-	221.06177	150.9
[M]+	200.08655	148.3
[M]-	200.08765	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe