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

7
Patents

238.08412 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.091396 149.1
[M+Na]+ 261.073338 157.0
[M-H]- 237.076844 153.1
[M+NH4]+ 256.117943 167.0
[M+K]+ 277.047278 157.0
[M+H-H2O]+ 221.081380 142.9
[M+HCOO]- 283.082321 172.3
[M+CH3COO]- 297.097971 192.2
[M+Na-2H]- 259.058786 152.2
[M]+ 238.08357142 155.5
[M]- 238.08466858 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