CID 10564716

(2r,3r)-2-(4-methoxyphenyl)-3-methyl-5-[(e)-prop-1-enyl]-2,3-dihydrobenzofuran

Structural Information

Molecular Formula
C19H20O2
SMILES
C/C=C/C1=CC2=C(C=C1)O[C@H]([C@@H]2C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H20O2/c1-4-5-14-6-11-18-17(12-14)13(2)19(21-18)15-7-9-16(20-3)10-8-15/h4-13,19H,1-3H3/b5-4+/t13-,19-/m1/s1
InChIKey
VIIMZQYLSFKCBR-YPYBPIMSSA-N
Compound name
(2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.14633 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15361 166.4
[M+Na]+ 303.13555 175.4
[M-H]- 279.13905 175.1
[M+NH4]+ 298.18015 184.6
[M+K]+ 319.10949 171.4
[M+H-H2O]+ 263.14359 159.7
[M+HCOO]- 325.14453 188.0
[M+CH3COO]- 339.16018 202.1
[M+Na-2H]- 301.12100 169.1
[M]+ 280.14578 169.6
[M]- 280.14688 169.6
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.