CID 154699781

Ns00117515

Structural Information

Molecular Formula
C15H20O7
SMILES
CCCC1=CC=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C15H20O7/c1-2-3-8-4-6-9(7-5-8)21-15-12(18)10(16)11(17)13(22-15)14(19)20/h4-7,10-13,15-18H,2-3H2,1H3,(H,19,20)/t10-,11-,12+,13-,15?/m0/s1
InChIKey
LZQQIZJNVCGDPN-HXMBFPRCSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(4-propylphenoxy)oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1209 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12818 170.2
[M+Na]+ 335.11012 179.4
[M+NH4]+ 330.15472 174.4
[M+K]+ 351.08406 177.2
[M-H]- 311.11362 171.2
[M+Na-2H]- 333.09557 171.3
[M]+ 312.12035 171.3
[M]- 312.12145 171.3
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.