CID 44563762

629643-27-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

61
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