CID 7872

Tert-butyl sulfide

Structural Information

Molecular Formula

C₈H₁₈S

SMILES

CC(C)(C)SC(C)(C)C

InChI

InChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3

InChIKey

LNMBCRKRCIMQLW-UHFFFAOYSA-N

Compound name

2-tert-butylsulfanyl-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 2417
Patents: 146.11292 Da
Monoisotopic Mass: 2.8
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]+	147.12020	133.4
[M+Na]+	169.10214	140.9
[M-H]-	145.10564	134.3
[M+NH4]+	164.14674	156.1
[M+K]+	185.07608	140.1
[M+H-H2O]+	129.11018	129.7
[M+HCOO]-	191.11112	148.2
[M+CH3COO]-	205.12677	176.8
[M+Na-2H]-	167.08759	137.2
[M]+	146.11237	136.4
[M]-	146.11347	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe