CID 71597987

4-[(2r,3r)-3-methyl-5-propyl-2,3-dihydrobenzofuran-2-yl]phenol

Structural Information

Molecular Formula
C18H20O2
SMILES
CCCC1=CC2=C(C=C1)O[C@H]([C@@H]2C)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H20O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h5-12,18-19H,3-4H2,1-2H3/t12-,18-/m1/s1
InChIKey
SBDNITWSWQNNGW-KZULUSFZSA-N
Compound name
4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.14633 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 162.9
[M+Na]+ 291.13555 171.5
[M-H]- 267.13905 170.3
[M+NH4]+ 286.18015 180.9
[M+K]+ 307.10949 167.5
[M+H-H2O]+ 251.14359 156.6
[M+HCOO]- 313.14453 183.1
[M+CH3COO]- 327.16018 175.5
[M+Na-2H]- 289.12100 165.8
[M]+ 268.14578 164.8
[M]- 268.14688 164.8
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.