CID 522065

Sec-butyl sulfide

Structural Information

Molecular Formula

C₈H₁₈S

SMILES

CCC(C)SC(C)CC

InChI

InChI=1S/C8H18S/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3

InChIKey

IEBAOPMEYUWQPD-UHFFFAOYSA-N

Compound name

2-butan-2-ylsulfanylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 686
Patents: 146.11292 Da
Monoisotopic Mass: 3.5
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]+	147.12020	134.7
[M+Na]+	169.10214	144.5
[M+NH4]+	164.14674	143.8
[M+K]+	185.07608	136.7
[M-H]-	145.10564	135.1
[M+Na-2H]-	167.08759	137.6
[M]+	146.11237	136.6
[M]-	146.11347	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe