CID 61046

120-11-6

Structural Information

Molecular Formula

C₁₇H₁₈O₂

SMILES

CC=CC1=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

InChIKey

YKSSSKBJDZDZTD-UHFFFAOYSA-N

Compound name

2-methoxy-1-phenylmethoxy-4-prop-1-enylbenzene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 3
References: 1747
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]+	255.137956	158.8
[M+Na]+	277.119898	166.3
[M-H]-	253.123404	165.5
[M+NH4]+	272.164503	176.0
[M+K]+	293.093838	162.3
[M+H-H2O]+	237.127940	151.1
[M+HCOO]-	299.128881	182.9
[M+CH3COO]-	313.144531	195.9
[M+Na-2H]-	275.105346	163.8
[M]+	254.13013142	161.8
[M]-	254.13122858	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe