CID 77932

Diisopropyl disulfide

Structural Information

Molecular Formula

C₆H₁₄S₂

SMILES

CC(C)SSC(C)C

InChI

InChI=1S/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3

InChIKey

LZAZXBXPKRULLB-UHFFFAOYSA-N

Compound name

2-(propan-2-yldisulfanyl)propane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 3
References: 3092
Patents: 150.0537 Da
Monoisotopic Mass: 2.5
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]+	151.06098	128.9
[M+Na]+	173.04292	135.4
[M-H]-	149.04642	129.3
[M+NH4]+	168.08752	150.8
[M+K]+	189.01686	133.6
[M+H-H2O]+	133.05096	124.0
[M+HCOO]-	195.05190	139.0
[M+CH3COO]-	209.06755	178.0
[M+Na-2H]-	171.02837	127.6
[M]+	150.05315	131.6
[M]-	150.05425	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe