CID 6255462

33626-08-3

Structural Information

Molecular Formula
C15H14O3
SMILES
COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O
InChI
InChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3/b3-2+
InChIKey
IHVRWFJGOIWMGC-NSCUHMNNSA-N
Compound name
5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

37
References

391
Patents

242.0943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 154.7
[M+Na]+ 265.08352 169.2
[M+NH4]+ 260.12812 162.5
[M+K]+ 281.05746 161.8
[M-H]- 241.08702 158.2
[M+Na-2H]- 263.06897 162.8
[M]+ 242.09375 157.8
[M]- 242.09485 157.8
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