CID 5281719

Pinosylvin monomethyl ether

Structural Information

Molecular Formula

C₁₅H₁₄O₂

SMILES

COC1=CC(=CC(=C1)O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+

InChIKey

JVIXPWIEOVZVJC-BQYQJAHWSA-N

Compound name

3-methoxy-5-[(E)-2-phenylethenyl]phenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 16
References: 144
Patents: 226.09938 Da
Monoisotopic Mass: 3.8
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]+	227.106656	149.9
[M+Na]+	249.088598	157.9
[M-H]-	225.092104	155.6
[M+NH4]+	244.133203	167.5
[M+K]+	265.062538	153.4
[M+H-H2O]+	209.096640	143.0
[M+HCOO]-	271.097581	173.2
[M+CH3COO]-	285.113231	187.3
[M+Na-2H]-	247.074046	155.6
[M]+	226.09883142	150.4
[M]-	226.09992858	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe