CID 71812673

P-hbad-i

Structural Information

Molecular Formula
C15H20O7
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C(=O)OC)OC)O)O
InChI
InChI=1S/C15H20O7/c1-8-11(16)12(17)13(19-2)15(21-8)22-10-6-4-9(5-7-10)14(18)20-3/h4-8,11-13,15-17H,1-3H3/t8-,11-,12+,13+,15-/m0/s1
InChIKey
QXNNDPYKYWOVHB-WHTBPNCESA-N
Compound name
methyl 4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

312.1209 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12818 169.2
[M+Na]+ 335.11012 179.5
[M+NH4]+ 330.15472 174.1
[M+K]+ 351.08406 176.7
[M-H]- 311.11362 171.2
[M+Na-2H]- 333.09557 171.5
[M]+ 312.12035 170.9
[M]- 312.12145 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.