CID 154699782

Ns00117516

Structural Information

Molecular Formula
C15H18O9
SMILES
CCOC(=O)C1=CC=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C15H18O9/c1-2-22-14(21)7-3-5-8(6-4-7)23-15-11(18)9(16)10(17)12(24-15)13(19)20/h3-6,9-12,15-18H,2H2,1H3,(H,19,20)/t9-,10-,11+,12-,15?/m0/s1
InChIKey
LZYNMJNOTCVYBQ-VDQYPUQXSA-N
Compound name
(2S,3S,4S,5R)-6-(4-ethoxycarbonylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

342.0951 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10238 172.1
[M+Na]+ 365.08432 176.9
[M-H]- 341.08782 174.2
[M+NH4]+ 360.12892 181.1
[M+K]+ 381.05826 177.1
[M+H-H2O]+ 325.09236 165.0
[M+HCOO]- 387.09330 184.9
[M+CH3COO]- 401.10895 203.1
[M+Na-2H]- 363.06977 170.9
[M]+ 342.09455 173.1
[M]- 342.09565 173.1
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.