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

5
Annotation Hits: 0
References: 183
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]+	103.057596	118.3
[M+Na]+	125.039538	126.4
[M-H]-	101.043044	119.2
[M+NH4]+	120.084143	142.3
[M+K]+	141.013478	125.1
[M+H-H2O]+	85.047580	114.1
[M+HCOO]-	147.048521	137.1
[M+CH3COO]-	161.064171	166.7
[M+Na-2H]-	123.024986	122.3
[M]+	102.04977142	120.5
[M]-	102.05086858	120.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe