CID 14132338

Syringic acid-4-beta-d-glucopyranoside

Structural Information

Molecular Formula
C15H20O10
SMILES
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C(=O)O
InChI
InChI=1S/C15H20O10/c1-22-7-3-6(14(20)21)4-8(23-2)13(7)25-15-12(19)11(18)10(17)9(5-16)24-15/h3-4,9-12,15-19H,5H2,1-2H3,(H,20,21)
InChIKey
BLKMDORKRDACEI-UHFFFAOYSA-N
Compound name
3,5-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

360.10565 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11293 178.4
[M+Na]+ 383.09487 186.2
[M+NH4]+ 378.13947 180.4
[M+K]+ 399.06881 186.4
[M-H]- 359.09837 177.4
[M+Na-2H]- 381.08032 177.1
[M]+ 360.10510 178.5
[M]- 360.10620 178.5
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

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