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

422
Patents

278.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.122696 163.1
[M+Na]+ 301.104638 168.9
[M-H]- 277.108144 166.3
[M+NH4]+ 296.149243 179.0
[M+K]+ 317.078578 168.1
[M+H-H2O]+ 261.112680 156.2
[M+HCOO]- 323.113621 184.5
[M+CH3COO]- 337.129271 198.7
[M+Na-2H]- 299.090086 163.9
[M]+ 278.11487142 168.6
[M]- 278.11596858 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

literature stripe

Patent stripe

patents stripe