CID 439407

Dithiane diol

Structural Information

Molecular Formula

C₄H₈O₂S₂

SMILES

C1[C@@H]([C@H](CSS1)O)O

InChI

InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1

InChIKey

YPGMOWHXEQDBBV-IMJSIDKUSA-N

Compound name

(4R,5R)-dithiane-4,5-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 1201
Patents: 151.99657 Da
Monoisotopic Mass: -0.6
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]+	153.00385	124.7
[M+Na]+	174.98579	133.7
[M+NH4]+	170.03039	134.1
[M+K]+	190.95973	125.7
[M-H]-	150.98929	126.0
[M+Na-2H]-	172.97124	127.9
[M]+	151.99602	127.1
[M]-	151.99712	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe