CID 70678777

(+)-3'-hydroxylarreatricin

Structural Information

Molecular Formula
C18H20O4
SMILES
C[C@H]1[C@H]([C@@H](O[C@H]1C2=CC=C(C=C2)O)C3=CC(=C(C=C3)O)O)C
InChI
InChI=1S/C18H20O4/c1-10-11(2)18(13-5-8-15(20)16(21)9-13)22-17(10)12-3-6-14(19)7-4-12/h3-11,17-21H,1-2H3/t10-,11+,17+,18+/m0/s1
InChIKey
HKSHEXWQPGOEAT-ZKINDDDQSA-N
Compound name
4-[(2R,3R,4S,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.13617 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 169.3
[M+Na]+ 323.12539 177.4
[M-H]- 299.12889 176.9
[M+NH4]+ 318.16999 183.5
[M+K]+ 339.09933 173.5
[M+H-H2O]+ 283.13343 163.0
[M+HCOO]- 345.13437 187.0
[M+CH3COO]- 359.15002 199.0
[M+Na-2H]- 321.11084 168.6
[M]+ 300.13562 168.6
[M]- 300.13672 168.6
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

No patent data available for this compound.