CID 14241469

2109226-54-0

Structural Information

Molecular Formula

C₆H₁₀O₂S

SMILES

CC(C)(C#C)S(=O)(=O)C

InChI

InChI=1S/C6H10O2S/c1-5-6(2,3)9(4,7)8/h1H,2-4H3

InChIKey

TVWUIROEZGTISF-UHFFFAOYSA-N

Compound name

3-methyl-3-methylsulfonylbut-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 273
Patents: 146.04015 Da
Monoisotopic Mass: 0.3
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	127.4
[M+Na]+	169.02937	136.8
[M+NH4]+	164.07397	131.4
[M+K]+	185.00331	128.8
[M-H]-	145.03287	117.9
[M+Na-2H]-	167.01482	127.9
[M]+	146.03960	125.6
[M]-	146.04070	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe