CID 154699591

Ns00117347

Structural Information

Molecular Formula
C17H22O7
SMILES
C1CCC(C1)C2=CC=C(C=C2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C17H22O7/c18-12-13(19)15(16(21)22)24-17(14(12)20)23-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,12-15,17-20H,1-4H2,(H,21,22)/t12-,13-,14+,15-,17?/m0/s1
InChIKey
FJPKOQCTXQDVAM-JSMXJDTGSA-N
Compound name
(2S,3S,4S,5R)-6-(4-cyclopentylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

338.13657 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.143846 175.4
[M+Na]+ 361.125788 178.7
[M-H]- 337.129294 180.1
[M+NH4]+ 356.170393 186.2
[M+K]+ 377.099728 176.9
[M+H-H2O]+ 321.133830 169.0
[M+HCOO]- 383.134771 187.1
[M+CH3COO]- 397.150421 201.2
[M+Na-2H]- 359.111236 172.2
[M]+ 338.13602142 170.9
[M]- 338.13711858 170.9
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.