CID 118960564

Ox03050

Structural Information

Molecular Formula

C₁₇H₁₈O₂

SMILES

C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OCCCO

InChI

InChI=1S/C17H18O2/c18-13-4-14-19-17-11-9-16(10-12-17)8-7-15-5-2-1-3-6-15/h1-3,5-12,18H,4,13-14H2/b8-7+

InChIKey

IVVVHAMSSLGCCI-BQYQJAHWSA-N

Compound name

3-[4-[(E)-2-phenylethenyl]phenoxy]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 254.13068 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]+	255.137956	159.5
[M+Na]+	277.119898	165.6
[M-H]-	253.123404	164.3
[M+NH4]+	272.164503	175.6
[M+K]+	293.093838	160.6
[M+H-H2O]+	237.127940	151.9
[M+HCOO]-	299.128881	182.0
[M+CH3COO]-	313.144531	192.2
[M+Na-2H]-	275.105346	164.8
[M]+	254.13013142	160.2
[M]-	254.13122858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe