CID 764139

92666-21-2

Structural Information

Molecular Formula

C₁₇H₁₈O₂

SMILES

C/C=C/C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+

InChIKey

YKSSSKBJDZDZTD-XVNBXDOJSA-N

Compound name

2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 3
References: 1735
Patents: 254.13068 Da
Monoisotopic Mass: 4.1
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]+	255.13796	158.8
[M+Na]+	277.11990	166.3
[M-H]-	253.12340	165.5
[M+NH4]+	272.16450	176.0
[M+K]+	293.09384	162.3
[M+H-H2O]+	237.12794	151.1
[M+HCOO]-	299.12888	182.9
[M+CH3COO]-	313.14453	195.9
[M+Na-2H]-	275.10535	163.8
[M]+	254.13013	161.8
[M]-	254.13123	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe