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]+ 301.143446 170.4
[M+Na]+ 323.125388 177.3
[M-H]- 299.128894 173.5
[M+NH4]+ 318.169993 183.8
[M+K]+ 339.099328 172.5
[M+H-H2O]+ 283.133430 163.3
[M+HCOO]- 345.134371 188.8
[M+CH3COO]- 359.150021 199.1
[M+Na-2H]- 321.110836 170.9
[M]+ 300.13562142 171.2
[M]- 300.13671858 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.