CID 51865

73622-76-1

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

CCC(=O)COC1=CC=C(C2=CC=CC=C21)C(=O)C

InChI

InChI=1S/C16H16O3/c1-3-12(18)10-19-16-9-8-13(11(2)17)14-6-4-5-7-15(14)16/h4-9H,3,10H2,1-2H3

InChIKey

NGILSQROLZTVFT-UHFFFAOYSA-N

Compound name

1-(4-acetylnaphthalen-1-yl)oxybutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.10995 Da
Monoisotopic Mass: 3.0
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]+	257.11723	157.2
[M+Na]+	279.09917	164.7
[M-H]-	255.10267	161.6
[M+NH4]+	274.14377	175.2
[M+K]+	295.07311	161.8
[M+H-H2O]+	239.10721	150.5
[M+HCOO]-	301.10815	178.3
[M+CH3COO]-	315.12380	198.3
[M+Na-2H]-	277.08462	161.1
[M]+	256.10940	160.8
[M]-	256.11050	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe