CID 182681

Ethyl 2-(4-acetylphenoxy)acetate

Structural Information

Molecular Formula
C12H14O4
SMILES
CCOC(=O)COC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C12H14O4/c1-3-15-12(14)8-16-11-6-4-10(5-7-11)9(2)13/h4-7H,3,8H2,1-2H3
InChIKey
RVNWZMJGLXVZEJ-UHFFFAOYSA-N
Compound name
ethyl 2-(4-acetylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

222.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 147.4
[M+Na]+ 245.07842 154.5
[M-H]- 221.08192 151.1
[M+NH4]+ 240.12302 165.7
[M+K]+ 261.05236 153.8
[M+H-H2O]+ 205.08646 141.1
[M+HCOO]- 267.08740 170.4
[M+CH3COO]- 281.10305 188.9
[M+Na-2H]- 243.06387 151.0
[M]+ 222.08865 151.9
[M]- 222.08975 151.9
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