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

421
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 163.1
[M+Na]+ 301.10464 168.9
[M-H]- 277.10814 166.3
[M+NH4]+ 296.14924 179.0
[M+K]+ 317.07858 168.1
[M+H-H2O]+ 261.11268 156.2
[M+HCOO]- 323.11362 184.5
[M+CH3COO]- 337.12927 198.7
[M+Na-2H]- 299.09009 163.9
[M]+ 278.11487 168.6
[M]- 278.11597 168.6
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.