CID 15061983

132182-01-5

Structural Information

Molecular Formula

C₈H₁₈O₂S₂

SMILES

CC(C)(CO)SSC(C)(C)CO

InChI

InChI=1S/C8H18O2S2/c1-7(2,5-9)11-12-8(3,4)6-10/h9-10H,5-6H2,1-4H3

InChIKey

RKIUKWLUGAFWFQ-UHFFFAOYSA-N

Compound name

2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.07483 Da
Monoisotopic Mass: 0.8
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]+	211.08211	147.7
[M+Na]+	233.06405	153.2
[M-H]-	209.06755	144.6
[M+NH4]+	228.10865	165.7
[M+K]+	249.03799	149.4
[M+H-H2O]+	193.07209	143.1
[M+HCOO]-	255.07303	153.9
[M+CH3COO]-	269.08868	181.5
[M+Na-2H]-	231.04950	148.5
[M]+	210.07428	150.2
[M]-	210.07538	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe