CID 3422186

69114-02-9

Structural Information

Molecular Formula

C₁₂H₁₄O₄

SMILES

CC(=O)C1=CC(=C(C=C1)OCC2CO2)OC

InChI

InChI=1S/C12H14O4/c1-8(13)9-3-4-11(12(5-9)14-2)16-7-10-6-15-10/h3-5,10H,6-7H2,1-2H3

InChIKey

SEIIAIINWYFXFL-UHFFFAOYSA-N

Compound name

1-[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 222.0892 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]+	223.09648	149.1
[M+Na]+	245.07842	163.0
[M+NH4]+	240.12302	157.1
[M+K]+	261.05236	159.2
[M-H]-	221.08192	159.6
[M+Na-2H]-	243.06387	157.5
[M]+	222.08865	155.1
[M]-	222.08975	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe