CID 157010305

Hydroxysyringaresinol

Structural Information

Molecular Formula
C15H18O9
SMILES
C1=CC(=C(C=C1/C=C/C(=O)C2(C(C(C(C(O2)CO)O)O)O)O)O)O
InChI
InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23,24-10)11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-14,16-18,20-23H,6H2/b4-2+
InChIKey
VCUGMOIFALEVCM-DUXPYHPUSA-N
Compound name
(E)-3-(3,4-dihydroxyphenyl)-1-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0951 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10238 174.6
[M+Na]+ 365.08432 180.1
[M-H]- 341.08782 173.1
[M+NH4]+ 360.12892 183.9
[M+K]+ 381.05826 177.9
[M+H-H2O]+ 325.09236 169.2
[M+HCOO]- 387.09330 183.5
[M+CH3COO]- 401.10895 197.6
[M+Na-2H]- 363.06977 173.9
[M]+ 342.09455 171.8
[M]- 342.09565 171.8
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.