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]+ 281.153606 166.4
[M+Na]+ 303.135548 175.4
[M-H]- 279.139054 175.1
[M+NH4]+ 298.180153 184.6
[M+K]+ 319.109488 171.4
[M+H-H2O]+ 263.143590 159.7
[M+HCOO]- 325.144531 188.0
[M+CH3COO]- 339.160181 202.1
[M+Na-2H]- 301.120996 169.1
[M]+ 280.14578142 169.6
[M]- 280.14687858 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.