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]+ 301.143446 169.3
[M+Na]+ 323.125388 177.4
[M-H]- 299.128894 176.9
[M+NH4]+ 318.169993 183.5
[M+K]+ 339.099328 173.5
[M+H-H2O]+ 283.133430 163.0
[M+HCOO]- 345.134371 187.0
[M+CH3COO]- 359.150021 199.0
[M+Na-2H]- 321.110836 168.6
[M]+ 300.13562142 168.6
[M]- 300.13671858 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.