CID 19754

Methyl propyl sulfide

Structural Information

Molecular Formula

C₄H₁₀S

SMILES

CCCSC

InChI

InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3

InChIKey

ZOASGOXWEHUTKZ-UHFFFAOYSA-N

Compound name

1-methylsulfanylpropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 7125
Patents: 90.05032 Da
Monoisotopic Mass: 1.8
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]+	91.057596	114.8
[M+Na]+	113.03954	123.0
[M-H]-	89.043044	115.8
[M+NH4]+	108.08414	139.4
[M+K]+	129.01348	122.6
[M+H-H2O]+	73.047580	110.8
[M+HCOO]-	135.04852	133.8
[M+CH3COO]-	149.06417	165.4
[M+Na-2H]-	111.02499	119.3
[M]+	90.049771	117.5
[M]-	90.050869	117.5

Literature stripe

literature stripe

Patent stripe

patents stripe