CID 6441554

Diethyl p-phenylenediacrylate

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

122
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 163.8
[M+Na]+ 297.10972 169.9
[M-H]- 273.11322 166.8
[M+NH4]+ 292.15432 180.0
[M+K]+ 313.08366 167.0
[M+H-H2O]+ 257.11776 156.9
[M+HCOO]- 319.11870 185.8
[M+CH3COO]- 333.13435 197.2
[M+Na-2H]- 295.09517 165.2
[M]+ 274.11995 168.0
[M]- 274.12105 168.0
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