CID 12264

Diisopropyl sulfide

Structural Information

Molecular Formula

C₆H₁₄S

SMILES

CC(C)SC(C)C

InChI

InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3

InChIKey

XYWDPYKBIRQXQS-UHFFFAOYSA-N

Compound name

2-propan-2-ylsulfanylpropane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 4511
Patents: 118.08162 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]+	119.08890	124.5
[M+Na]+	141.07084	131.2
[M-H]-	117.07434	125.2
[M+NH4]+	136.11544	147.8
[M+K]+	157.04478	131.1
[M+H-H2O]+	101.07888	120.1
[M+HCOO]-	163.07982	140.7
[M+CH3COO]-	177.09547	173.0
[M+Na-2H]-	139.05629	125.6
[M]+	118.08107	126.6
[M]-	118.08217	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe