CID 8118

Propyl sulfide

Structural Information

Molecular Formula

C₆H₁₄S

SMILES

CCCSCCC

InChI

InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3

InChIKey

ZERULLAPCVRMCO-UHFFFAOYSA-N

Compound name

1-propylsulfanylpropane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 39
References: 8228
Patents: 118.08162 Da
Monoisotopic Mass: 2.7
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]+	119.08890	125.1
[M+Na]+	141.07084	136.0
[M+NH4]+	136.11544	134.8
[M+K]+	157.04478	127.1
[M-H]-	117.07434	126.1
[M+Na-2H]-	139.05629	129.2
[M]+	118.08107	127.4
[M]-	118.08217	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe