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

2
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 168.6
[M+Na]+ 337.08938 177.5
[M+NH4]+ 332.13398 172.4
[M+K]+ 353.06332 176.1
[M-H]- 313.09288 169.1
[M+Na-2H]- 335.07483 169.5
[M]+ 314.09961 169.5
[M]- 314.10071 169.5
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

patents stripe