CID 4349473

3-(3-ethoxy-4-hydroxy-benzylidene)-pentane-2,4-dione

Structural Information

Molecular Formula
C14H16O4
SMILES
CCOC1=C(C=CC(=C1)C=C(C(=O)C)C(=O)C)O
InChI
InChI=1S/C14H16O4/c1-4-18-14-8-11(5-6-13(14)17)7-12(9(2)15)10(3)16/h5-8,17H,4H2,1-3H3
InChIKey
MJIRAKVJINGAOF-UHFFFAOYSA-N
Compound name
3-[(3-ethoxy-4-hydroxyphenyl)methylidene]pentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

248.10486 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11214 154.6
[M+Na]+ 271.09408 161.3
[M-H]- 247.09758 157.0
[M+NH4]+ 266.13868 171.3
[M+K]+ 287.06802 159.3
[M+H-H2O]+ 231.10212 148.7
[M+HCOO]- 293.10306 174.6
[M+CH3COO]- 307.11871 193.7
[M+Na-2H]- 269.07953 154.8
[M]+ 248.10431 157.0
[M]- 248.10541 157.0
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