CID 123229

Allyl ethyl sulfide

Structural Information

Molecular Formula

C₅H₁₀S

SMILES

CCSCC=C

InChI

InChI=1S/C5H10S/c1-3-5-6-4-2/h3H,1,4-5H2,2H3

InChIKey

NOJXPGXFDASWEI-UHFFFAOYSA-N

Compound name

3-ethylsulfanylprop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 270
Patents: 102.05032 Da
Monoisotopic Mass: 1.9
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]+	103.05760	120.5
[M+Na]+	125.03954	131.7
[M+NH4]+	120.08414	130.2
[M+K]+	141.01348	122.9
[M-H]-	101.04304	121.3
[M+Na-2H]-	123.02499	124.8
[M]+	102.04977	122.8
[M]-	102.05087	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe