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 149.1
[M+Na]+ 261.07334 157.0
[M-H]- 237.07684 153.1
[M+NH4]+ 256.11794 167.0
[M+K]+ 277.04728 157.0
[M+H-H2O]+ 221.08138 142.9
[M+HCOO]- 283.08232 172.3
[M+CH3COO]- 297.09797 192.2
[M+Na-2H]- 259.05879 152.2
[M]+ 238.08357 155.5
[M]- 238.08467 155.5
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