CID 5708916

649573-09-1

Structural Information

Molecular Formula
C15H18O6
SMILES
CCOC(=O)/C=C/C1=CC(=C(C=C1)OCC(=O)OC)OC
InChI
InChI=1S/C15H18O6/c1-4-20-14(16)8-6-11-5-7-12(13(9-11)18-2)21-10-15(17)19-3/h5-9H,4,10H2,1-3H3/b8-6+
InChIKey
GIJJASFJRAJLCJ-SOFGYWHQSA-N
Compound name
ethyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

294.11035 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11763 164.7
[M+Na]+ 317.09957 171.6
[M-H]- 293.10307 168.2
[M+NH4]+ 312.14417 180.3
[M+K]+ 333.07351 170.9
[M+H-H2O]+ 277.10761 157.7
[M+HCOO]- 339.10855 187.3
[M+CH3COO]- 353.12420 201.2
[M+Na-2H]- 315.08502 166.3
[M]+ 294.10980 172.8
[M]- 294.11090 172.8
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

patents stripe