CID 20063

Ethyl propyl sulfide

Structural Information

Molecular Formula

C₅H₁₂S

SMILES

CCCSCC

InChI

InChI=1S/C5H12S/c1-3-5-6-4-2/h3-5H2,1-2H3

InChIKey

ZDDDFDQTSXYYSE-UHFFFAOYSA-N

Compound name

1-ethylsulfanylpropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2420
Patents: 104.06597 Da
Monoisotopic Mass: 2.1
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]+	105.07325	120.7
[M+Na]+	127.05519	131.9
[M+NH4]+	122.09979	130.7
[M+K]+	143.02913	123.2
[M-H]-	103.05869	121.8
[M+Na-2H]-	125.04064	125.1
[M]+	104.06542	123.1
[M]-	104.06652	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe