CID 5368103

1-butene, 1-(methylthio)-, (e)-

Structural Information

Molecular Formula

C₅H₁₀S

SMILES

CC/C=C/SC

InChI

InChI=1S/C5H10S/c1-3-4-5-6-2/h4-5H,3H2,1-2H3/b5-4+

InChIKey

QOKMHYUWJKXWOV-SNAWJCMRSA-N

Compound name

(E)-1-methylsulfanylbut-1-ene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 63
Patents: 102.05032 Da
Monoisotopic Mass: 2.0
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	120.7
[M+Na]+	125.03954	131.9
[M+NH4]+	120.08414	130.3
[M+K]+	141.01348	123.1
[M-H]-	101.04304	121.5
[M+Na-2H]-	123.02499	124.9
[M]+	102.04977	122.9
[M]-	102.05087	122.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe