CID 5281296

Xenognosin

Structural Information

Molecular Formula
C16H16O3
SMILES
COC1=C(C=CC(=C1)O)C/C=C/C2=CC=C(C=C2)O
InChI
InChI=1S/C16H16O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h2-3,5-11,17-18H,4H2,1H3/b3-2+
InChIKey
LOHIEGDVOARVPJ-NSCUHMNNSA-N
Compound name
4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

256.10995 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 159.2
[M+Na]+ 279.09917 173.6
[M+NH4]+ 274.14377 166.9
[M+K]+ 295.07311 165.9
[M-H]- 255.10267 162.7
[M+Na-2H]- 277.08462 167.1
[M]+ 256.10940 162.3
[M]- 256.11050 162.3
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