CID 157010014

Orsellinic acid 2-o-beta-d-glucoside

Structural Information

Molecular Formula
C14H18O9
SMILES
CC1=CC(=CC(=C1C(=O)O)OC2C(C(C(C(O2)CO)O)O)O)O
InChI
InChI=1S/C14H18O9/c1-5-2-6(16)3-7(9(5)13(20)21)22-14-12(19)11(18)10(17)8(4-15)23-14/h2-3,8,10-12,14-19H,4H2,1H3,(H,20,21)
InChIKey
AQLSLUZPCXWYQZ-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0951 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10238 170.6
[M+Na]+ 353.08432 176.4
[M-H]- 329.08782 170.7
[M+NH4]+ 348.12892 179.3
[M+K]+ 369.05826 175.6
[M+H-H2O]+ 313.09236 164.1
[M+HCOO]- 375.09330 181.2
[M+CH3COO]- 389.10895 199.7
[M+Na-2H]- 351.06977 168.6
[M]+ 330.09455 169.9
[M]- 330.09565 169.9
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.