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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.11723	158.0
[M+Na]+	279.09917	165.9
[M-H]-	255.10267	162.4
[M+NH4]+	274.14377	173.8
[M+K]+	295.07311	160.9
[M+H-H2O]+	239.10721	151.0
[M+HCOO]-	301.10815	179.5
[M+CH3COO]-	315.12380	191.1
[M+Na-2H]-	277.08462	161.9
[M]+	256.10940	158.8
[M]-	256.11050	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe