CID 14213223

(+)-larreatricin

Structural Information

Molecular Formula
C18H20O3
SMILES
C[C@@H]1[C@@H]([C@@H](O[C@H]1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C
InChI
InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18-/m1/s1
InChIKey
PIBJADPEZQHMQS-FVEFGIFQSA-N
Compound name
4-[(2R,3R,4S,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

12
Patents

284.14124 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 165.9
[M+Na]+ 307.13046 173.8
[M-H]- 283.13396 174.5
[M+NH4]+ 302.17506 181.3
[M+K]+ 323.10440 169.9
[M+H-H2O]+ 267.13850 159.3
[M+HCOO]- 329.13944 185.0
[M+CH3COO]- 343.15509 197.7
[M+Na-2H]- 305.11591 166.2
[M]+ 284.14069 165.1
[M]- 284.14179 165.1
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