CID 5280698

7329-69-3

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=C(C=CC(=C1)/C=C/C2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3+
InChIKey
KQPXJFAYGYIGRU-ONEGZZNKSA-N
Compound name
4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

117
Patents

272.10486 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 162.2
[M+Na]+ 295.09408 176.3
[M+NH4]+ 290.13868 169.2
[M+K]+ 311.06802 169.5
[M-H]- 271.09758 165.2
[M+Na-2H]- 293.07953 169.4
[M]+ 272.10431 165.0
[M]- 272.10541 165.0
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