CID 81238

6768-23-6

Structural Information

Molecular Formula
C15H18O5
SMILES
CCOC(=O)C(=CC1=CC=C(C=C1)OC)C(=O)OCC
InChI
InChI=1S/C15H18O5/c1-4-19-14(16)13(15(17)20-5-2)10-11-6-8-12(18-3)9-7-11/h6-10H,4-5H2,1-3H3
InChIKey
KUBLMWHFTKNBHL-UHFFFAOYSA-N
Compound name
diethyl 2-[(4-methoxyphenyl)methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

371
Patents

278.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12270 163.5
[M+Na]+ 301.10464 173.3
[M+NH4]+ 296.14924 168.6
[M+K]+ 317.07858 168.9
[M-H]- 277.10814 162.7
[M+Na-2H]- 299.09009 166.8
[M]+ 278.11487 164.3
[M]- 278.11597 164.3
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