CID 6366717

Ethyl 2-propenesulfinate

Structural Information

Molecular Formula

C₅H₁₀O₂S

SMILES

CCOS(=O)CC=C

InChI

InChI=1S/C5H10O2S/c1-3-5-8(6)7-4-2/h3H,1,4-5H2,2H3

InChIKey

FUZBQGFVQBLMHA-UHFFFAOYSA-N

Compound name

ethyl prop-2-ene-1-sulfinate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 134.04015 Da
Monoisotopic Mass: 0.9
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]+	135.047426	124.9
[M+Na]+	157.029368	132.7
[M-H]-	133.032874	125.6
[M+NH4]+	152.073973	147.3
[M+K]+	173.003308	131.9
[M+H-H2O]+	117.037410	120.3
[M+HCOO]-	179.038351	143.3
[M+CH3COO]-	193.054001	171.1
[M+Na-2H]-	155.014816	127.7
[M]+	134.03960142	128.7
[M]-	134.04069858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe