CID 54718339

Diethyl (e)-2-hydroxy-3-phenyl-but-2-enedioate

Structural Information

Molecular Formula
C14H16O5
SMILES
CCOC(=O)/C(=C(\C(=O)OCC)/O)/C1=CC=CC=C1
InChI
InChI=1S/C14H16O5/c1-3-18-13(16)11(10-8-6-5-7-9-10)12(15)14(17)19-4-2/h5-9,15H,3-4H2,1-2H3/b12-11+
InChIKey
JZPOCUPLZGESRO-VAWYXSNFSA-N
Compound name
diethyl (E)-2-hydroxy-3-phenylbut-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.09976 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10704 160.0
[M+Na]+ 287.08898 164.6
[M-H]- 263.09248 161.6
[M+NH4]+ 282.13358 175.3
[M+K]+ 303.06292 163.5
[M+H-H2O]+ 247.09702 153.4
[M+HCOO]- 309.09796 179.1
[M+CH3COO]- 323.11361 192.9
[M+Na-2H]- 285.07443 160.2
[M]+ 264.09921 162.2
[M]- 264.10031 162.2
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.