CID 3023360

2-(3-ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate

Structural Information

Molecular Formula
C15H18O4
SMILES
CCCC(=O)OC1=CC=CC=C1C=CC(=O)OCC
InChI
InChI=1S/C15H18O4/c1-3-7-15(17)19-13-9-6-5-8-12(13)10-11-14(16)18-4-2/h5-6,8-11H,3-4,7H2,1-2H3
InChIKey
ALJYPZLVMYTXLG-UHFFFAOYSA-N
Compound name
[2-(3-ethoxy-3-oxoprop-1-enyl)phenyl] butanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

262.1205 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.127776 160.5
[M+Na]+ 285.109718 166.7
[M-H]- 261.113224 163.6
[M+NH4]+ 280.154323 177.2
[M+K]+ 301.083658 164.7
[M+H-H2O]+ 245.117760 153.7
[M+HCOO]- 307.118701 182.6
[M+CH3COO]- 321.134351 195.7
[M+Na-2H]- 283.095166 162.4
[M]+ 262.11995142 165.2
[M]- 262.12104858 165.2
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

No patent data available for this compound.