CID 4677518

3293-97-8

Structural Information

Molecular Formula

C₁₉H₂₂O₃

SMILES

CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C19H22O3/c1-2-3-4-8-13-22-16-11-12-17(18(20)14-16)19(21)15-9-6-5-7-10-15/h5-7,9-12,14,20H,2-4,8,13H2,1H3

InChIKey

KGBWWTXUSOPASH-UHFFFAOYSA-N

Compound name

(4-hexoxy-2-hydroxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 162
Patents: 298.1569 Da
Monoisotopic Mass: 5.8
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]+	299.164176	171.7
[M+Na]+	321.146118	177.4
[M-H]-	297.149624	176.6
[M+NH4]+	316.190723	186.0
[M+K]+	337.120058	173.1
[M+H-H2O]+	281.154160	163.6
[M+HCOO]-	343.155101	192.7
[M+CH3COO]-	357.170751	202.8
[M+Na-2H]-	319.131566	173.9
[M]+	298.15635142	174.4
[M]-	298.15744858	174.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe