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
1
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]+ 263.12778 160.5
[M+Na]+ 285.10972 166.7
[M-H]- 261.11322 163.6
[M+NH4]+ 280.15432 177.2
[M+K]+ 301.08366 164.7
[M+H-H2O]+ 245.11776 153.7
[M+HCOO]- 307.11870 182.6
[M+CH3COO]- 321.13435 195.7
[M+Na-2H]- 283.09517 162.4
[M]+ 262.11995 165.2
[M]- 262.12105 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.