CID 522065

626-26-6

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

2
Annotation Hits: 0
References: 603
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]+	147.120196	133.6
[M+Na]+	169.102138	139.5
[M-H]-	145.105644	134.0
[M+NH4]+	164.146743	155.8
[M+K]+	185.076078	138.8
[M+H-H2O]+	129.110180	128.8
[M+HCOO]-	191.111121	149.2
[M+CH3COO]-	205.126771	179.0
[M+Na-2H]-	167.087586	133.7
[M]+	146.11237142	136.5
[M]-	146.11346858	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe