CID 19745460

Ethyl 3-(4-acetylphenoxy)propanoate

Structural Information

Molecular Formula
C13H16O4
SMILES
CCOC(=O)CCOC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C13H16O4/c1-3-16-13(15)8-9-17-12-6-4-11(5-7-12)10(2)14/h4-7H,3,8-9H2,1-2H3
InChIKey
AXGQWJIXCXLVDY-UHFFFAOYSA-N
Compound name
ethyl 3-(4-acetylphenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.10486 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11214 152.2
[M+Na]+ 259.09408 158.8
[M-H]- 235.09758 155.6
[M+NH4]+ 254.13868 169.9
[M+K]+ 275.06802 157.9
[M+H-H2O]+ 219.10212 145.7
[M+HCOO]- 281.10306 174.8
[M+CH3COO]- 295.11871 191.9
[M+Na-2H]- 257.07953 155.2
[M]+ 236.10431 157.0
[M]- 236.10541 157.0
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