CID 119205

Matairesinol

Structural Information

Molecular Formula
C20H22O6
SMILES
COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
InChIKey
MATGKVZWFZHCLI-LSDHHAIUSA-N
Compound name
(3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

199
References

2211
Patents

358.14163 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14891 182.3
[M+Na]+ 381.13085 189.6
[M-H]- 357.13435 190.8
[M+NH4]+ 376.17545 194.4
[M+K]+ 397.10479 187.1
[M+H-H2O]+ 341.13889 174.8
[M+HCOO]- 403.13983 201.2
[M+CH3COO]- 417.15548 211.0
[M+Na-2H]- 379.11630 181.3
[M]+ 358.14108 186.1
[M]- 358.14218 186.1
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