CID 73716

Ethyl 2-(4-acetylphenyl)acetate

Structural Information

Molecular Formula
C12H14O3
SMILES
CCOC(=O)CC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C12H14O3/c1-3-15-12(14)8-10-4-6-11(7-5-10)9(2)13/h4-7H,3,8H2,1-2H3
InChIKey
UYKWAZSTKGYKOG-UHFFFAOYSA-N
Compound name
ethyl 2-(4-acetylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

206.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 145.4
[M+Na]+ 229.08352 157.2
[M+NH4]+ 224.12812 152.7
[M+K]+ 245.05746 151.6
[M-H]- 205.08702 146.3
[M+Na-2H]- 227.06897 150.9
[M]+ 206.09375 147.2
[M]- 206.09485 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe