CID 9882105

Treosulfan

Structural Information

Molecular Formula

C₆H₁₄O₈S₂

SMILES

CS(=O)(=O)OC[C@@H]([C@H](COS(=O)(=O)C)O)O

InChI

InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1

InChIKey

YCPOZVAOBBQLRI-WDSKDSINSA-N

Compound name

[(2S,3S)-2,3-dihydroxy-4-methylsulfonyloxybutyl] methanesulfonate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 385
References: 23372
Patents: 278.013 Da
Monoisotopic Mass: -2.2
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]+	279.02028	159.4
[M+Na]+	301.00222	163.0
[M+NH4]+	296.04682	161.9
[M+K]+	316.97616	160.8
[M-H]-	277.00572	152.3
[M+Na-2H]-	298.98767	156.6
[M]+	278.01245	158.2
[M]-	278.01355	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe