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

60
Patents

264.11502 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.122296 160.0
[M+Na]+ 287.104238 171.1
[M-H]- 263.107744 168.4
[M+NH4]+ 282.148843 178.4
[M+K]+ 303.078178 166.3
[M+H-H2O]+ 247.112280 153.8
[M+HCOO]- 309.113221 183.4
[M+CH3COO]- 323.128871 173.8
[M+Na-2H]- 285.089686 164.8
[M]+ 264.11447142 164.0
[M]- 264.11556858 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

literature stripe

Patent stripe

patents stripe