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]+ 339.14385 175.4
[M+Na]+ 361.12579 178.7
[M-H]- 337.12929 180.1
[M+NH4]+ 356.17039 186.2
[M+K]+ 377.09973 176.9
[M+H-H2O]+ 321.13383 169.0
[M+HCOO]- 383.13477 187.1
[M+CH3COO]- 397.15042 201.2
[M+Na-2H]- 359.11124 172.2
[M]+ 338.13602 170.9
[M]- 338.13712 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.