CID 85447653

Zwiebelane b

Structural Information

Molecular Formula

C₆H₁₀OS₂

SMILES

CC1C(C2SC1S2=O)C

InChI

InChI=1S/C6H10OS2/c1-3-4(2)6-8-5(3)9(6)7/h3-6H,1-2H3

InChIKey

MDLUYFYDCNUJHX-UHFFFAOYSA-N

Compound name

2,3-dimethyl-5lambda4,6-dithiabicyclo[2.1.1]hexane 5-oxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 162.0173 Da
Monoisotopic Mass: 1.3
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]+	163.024576	131.7
[M+Na]+	185.006518	139.6
[M-H]-	161.010024	133.2
[M+NH4]+	180.051123	154.2
[M+K]+	200.980458	141.2
[M+H-H2O]+	145.014560	125.9
[M+HCOO]-	207.015501	140.6
[M+CH3COO]-	221.031151	144.8
[M+Na-2H]-	182.991966	134.0
[M]+	162.01675142	148.2
[M]-	162.01784858	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe