CID 6261723

Eupomatenoid 6

Structural Information

Molecular Formula
C18H16O2
SMILES
C/C=C/C1=CC2=C(C=C1)OC(=C2C)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H16O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-11,19H,1-2H3/b4-3+
InChIKey
KNFUWJAIDVAYOV-ONEGZZNKSA-N
Compound name
4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

86
Patents

264.11502 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12230 160.0
[M+Na]+ 287.10424 171.1
[M-H]- 263.10774 168.4
[M+NH4]+ 282.14884 178.4
[M+K]+ 303.07818 166.3
[M+H-H2O]+ 247.11228 153.8
[M+HCOO]- 309.11322 183.4
[M+CH3COO]- 323.12887 173.8
[M+Na-2H]- 285.08969 164.8
[M]+ 264.11447 164.0
[M]- 264.11557 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.