CID 2525930

851288-49-8

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC

InChI

InChI=1S/C11H14O3/c1-8(12)9-4-5-11(14-3)10(6-9)7-13-2/h4-6H,7H2,1-3H3

InChIKey

JAXXEGLPTVXHSQ-UHFFFAOYSA-N

Compound name

1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 194.0943 Da
Monoisotopic Mass: 1.2
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]+	195.10158	140.0
[M+Na]+	217.08352	148.4
[M-H]-	193.08702	144.1
[M+NH4]+	212.12812	159.9
[M+K]+	233.05746	147.6
[M+H-H2O]+	177.09156	134.3
[M+HCOO]-	239.09250	163.9
[M+CH3COO]-	253.10815	185.7
[M+Na-2H]-	215.06897	144.7
[M]+	194.09375	144.5
[M]-	194.09485	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe