CID 54194703

2-(prop-1-ene-2-sulfonyl)prop-1-ene

Structural Information

Molecular Formula

C₆H₁₀O₂S

SMILES

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

InChI

InChI=1S/C6H10O2S/c1-5(2)9(7,8)6(3)4/h1,3H2,2,4H3

InChIKey

PKZAWDJACFUTKB-UHFFFAOYSA-N

Compound name

2-prop-1-en-2-ylsulfonylprop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 310
Patents: 146.04015 Da
Monoisotopic Mass: 1.3
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]+	147.047426	126.6
[M+Na]+	169.029368	134.7
[M-H]-	145.032874	127.6
[M+NH4]+	164.073973	148.5
[M+K]+	185.003308	133.2
[M+H-H2O]+	129.037410	122.7
[M+HCOO]-	191.038351	142.6
[M+CH3COO]-	205.054001	173.3
[M+Na-2H]-	167.014816	128.6
[M]+	146.03960142	128.3
[M]-	146.04069858	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe