CID 15957490

[1,1'-biphenyl]-3,4'-diol, 4-[(2e)-4-hydroxy-3-methyl-2-butenyl]-5-methoxy-

Structural Information

Molecular Formula
C18H20O4
SMILES
C/C(=C\CC1=C(C=C(C=C1OC)C2=CC=C(C=C2)O)O)/CO
InChI
InChI=1S/C18H20O4/c1-12(11-19)3-8-16-17(21)9-14(10-18(16)22-2)13-4-6-15(20)7-5-13/h3-7,9-10,19-21H,8,11H2,1-2H3/b12-3+
InChIKey
FUZKQBSTUDDVLG-KGVSQERTSA-N
Compound name
2-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-(4-hydroxyphenyl)-3-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.13617 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 170.4
[M+Na]+ 323.12539 177.3
[M-H]- 299.12889 173.5
[M+NH4]+ 318.16999 183.8
[M+K]+ 339.09933 172.5
[M+H-H2O]+ 283.13343 163.3
[M+HCOO]- 345.13437 188.8
[M+CH3COO]- 359.15002 199.1
[M+Na-2H]- 321.11084 170.9
[M]+ 300.13562 171.2
[M]- 300.13672 171.2
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.