CID 24697234

Methyl 2-(4-acetyl-2-methoxyphenoxy)acetate

Structural Information

Molecular Formula
C12H14O5
SMILES
CC(=O)C1=CC(=C(C=C1)OCC(=O)OC)OC
InChI
InChI=1S/C12H14O5/c1-8(13)9-4-5-10(11(6-9)15-2)17-7-12(14)16-3/h4-6H,7H2,1-3H3
InChIKey
SWIPLDKGBDZMBH-UHFFFAOYSA-N
Compound name
methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

238.08412 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09140 150.7
[M+Na]+ 261.07334 161.8
[M+NH4]+ 256.11794 156.7
[M+K]+ 277.04728 157.6
[M-H]- 237.07684 150.6
[M+Na-2H]- 259.05879 155.1
[M]+ 238.08357 152.0
[M]- 238.08467 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe