CID 131752916

2-o-acetylarbutin

Structural Information

Molecular Formula
C14H18O8
SMILES
CC(=O)OC1C(C(C(OC1OC2=CC=C(C=C2)O)CO)O)O
InChI
InChI=1S/C14H18O8/c1-7(16)20-13-12(19)11(18)10(6-15)22-14(13)21-9-4-2-8(17)3-5-9/h2-5,10-15,17-19H,6H2,1H3
InChIKey
QLDACILJKOVPDG-UHFFFAOYSA-N
Compound name
[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

314.10016 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10744 167.2
[M+Na]+ 337.08938 172.7
[M-H]- 313.09288 169.4
[M+NH4]+ 332.13398 177.7
[M+K]+ 353.06332 172.3
[M+H-H2O]+ 297.09742 160.3
[M+HCOO]- 359.09836 180.9
[M+CH3COO]- 373.11401 197.2
[M+Na-2H]- 335.07483 167.4
[M]+ 314.09961 167.7
[M]- 314.10071 167.7
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.