CID 154577622

1-[4-(2,2-diethoxyethyl)phenyl]ethan-1-one

Structural Information

Molecular Formula

C₁₄H₂₀O₃

SMILES

CCOC(CC1=CC=C(C=C1)C(=O)C)OCC

InChI

InChI=1S/C14H20O3/c1-4-16-14(17-5-2)10-12-6-8-13(9-7-12)11(3)15/h6-9,14H,4-5,10H2,1-3H3

InChIKey

JRNOIFBRCRDWMZ-UHFFFAOYSA-N

Compound name

1-[4-(2,2-diethoxyethyl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.14125 Da
Monoisotopic Mass: 2.5
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]+	237.148526	155.3
[M+Na]+	259.130468	161.2
[M-H]-	235.133974	158.5
[M+NH4]+	254.175073	173.1
[M+K]+	275.104408	160.0
[M+H-H2O]+	219.138510	148.7
[M+HCOO]-	281.139451	177.1
[M+CH3COO]-	295.155101	194.4
[M+Na-2H]-	257.115916	157.7
[M]+	236.14070142	159.8
[M]-	236.14179858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.