CID 439407

(4r,5r)-1,2-dithiane-4,5-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

4
Annotation Hits: 19
References: 1525
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]+	153.003846	125.6
[M+Na]+	174.985788	131.9
[M-H]-	150.989294	126.0
[M+NH4]+	170.030393	145.8
[M+K]+	190.959728	128.5
[M+H-H2O]+	134.993830	121.3
[M+HCOO]-	196.994771	133.8
[M+CH3COO]-	211.010421	166.4
[M+Na-2H]-	172.971236	126.4
[M]+	151.99602142	122.1
[M]-	151.99711858	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe