CID 6441554

17088-28-7

Structural Information

Molecular Formula
C16H18O4
SMILES
CCOC(=O)/C=C/C1=CC=C(C=C1)/C=C/C(=O)OCC
InChI
InChI=1S/C16H18O4/c1-3-19-15(17)11-9-13-5-7-14(8-6-13)10-12-16(18)20-4-2/h5-12H,3-4H2,1-2H3/b11-9+,12-10+
InChIKey
QYGWZBFQWUBYAT-WGDLNXRISA-N
Compound name
ethyl (E)-3-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

274.1205 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12778 164.8
[M+Na]+ 297.10972 175.4
[M+NH4]+ 292.15432 170.3
[M+K]+ 313.08366 169.2
[M-H]- 273.11322 164.5
[M+Na-2H]- 295.09517 168.5
[M]+ 274.11995 165.9
[M]- 274.12105 165.9
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