CID 154699937

Ns00117656

Structural Information

Molecular Formula
C17H24O8
SMILES
CC1=C(C(=CC=C1)C)OCC(C)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C17H24O8/c1-8-5-4-6-9(2)14(8)23-7-10(3)24-17-13(20)11(18)12(19)15(25-17)16(21)22/h4-6,10-13,15,17-20H,7H2,1-3H3,(H,21,22)/t10?,11-,12-,13+,15-,17?/m0/s1
InChIKey
RWJCSHWLXABCAS-RNQPHIEHSA-N
Compound name
(2S,3S,4S,5R)-6-[1-(2,6-dimethylphenoxy)propan-2-yloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14713 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15441 181.1
[M+Na]+ 379.13635 189.3
[M+NH4]+ 374.18095 184.2
[M+K]+ 395.11029 188.3
[M-H]- 355.13985 181.3
[M+Na-2H]- 377.12180 180.7
[M]+ 356.14658 181.8
[M]- 356.14768 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.