CID 5146879

84775-31-5

Structural Information

Molecular Formula

C₁₂H₁₆O₄

SMILES

CC(=O)C1=CC=C(C=C1)OCOCCOC

InChI

InChI=1S/C12H16O4/c1-10(13)11-3-5-12(6-4-11)16-9-15-8-7-14-2/h3-6H,7-9H2,1-2H3

InChIKey

GHLVSOIOFYPLKU-UHFFFAOYSA-N

Compound name

1-[4-(2-methoxyethoxymethoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 224.10486 Da
Monoisotopic Mass: 1.4
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]+	225.11214	148.7
[M+Na]+	247.09408	155.6
[M-H]-	223.09758	152.1
[M+NH4]+	242.13868	166.9
[M+K]+	263.06802	155.0
[M+H-H2O]+	207.10212	142.1
[M+HCOO]-	269.10306	172.4
[M+CH3COO]-	283.11871	189.6
[M+Na-2H]-	245.07953	153.4
[M]+	224.10431	154.6
[M]-	224.10541	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe