CID 3056710

2-propanone, 1-(2-methoxy-1-naphthyloxy)-

Structural Information

Molecular Formula

C₁₄H₁₄O₃

SMILES

CC(=O)COC1=C(C=CC2=CC=CC=C21)OC

InChI

InChI=1S/C14H14O3/c1-10(15)9-17-14-12-6-4-3-5-11(12)7-8-13(14)16-2/h3-8H,9H2,1-2H3

InChIKey

BWOSWTATBUUOBB-UHFFFAOYSA-N

Compound name

1-(2-methoxynaphthalen-1-yl)oxypropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.0943 Da
Monoisotopic Mass: 2.9
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]+	231.101576	149.1
[M+Na]+	253.083518	157.5
[M-H]-	229.087024	153.9
[M+NH4]+	248.128123	168.4
[M+K]+	269.057458	155.3
[M+H-H2O]+	213.091560	142.6
[M+HCOO]-	275.092501	171.8
[M+CH3COO]-	289.108151	192.2
[M+Na-2H]-	251.068966	155.4
[M]+	230.09375142	153.4
[M]-	230.09484858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.