CID 11346694

91510-99-5

Structural Information

Molecular Formula
C12H14O6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H](CC(=O)O2)O
InChI
InChI=1S/C12H14O6S/c1-8-2-4-9(5-3-8)19(15,16)17-7-11-10(13)6-12(14)18-11/h2-5,10-11,13H,6-7H2,1H3/t10-,11+/m0/s1
InChIKey
TUJUSSDYSGSBET-WDEREUQCSA-N
Compound name
[(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.05112 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05840 159.7
[M+Na]+ 309.04034 168.0
[M-H]- 285.04384 166.4
[M+NH4]+ 304.08494 175.8
[M+K]+ 325.01428 166.6
[M+H-H2O]+ 269.04838 154.6
[M+HCOO]- 331.04932 175.6
[M+CH3COO]- 345.06497 192.2
[M+Na-2H]- 307.02579 161.7
[M]+ 286.05057 164.4
[M]- 286.05167 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.