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]+ 249.112136 154.6
[M+Na]+ 271.094078 161.3
[M-H]- 247.097584 157.0
[M+NH4]+ 266.138683 171.3
[M+K]+ 287.068018 159.3
[M+H-H2O]+ 231.102120 148.7
[M+HCOO]- 293.103061 174.6
[M+CH3COO]- 307.118711 193.7
[M+Na-2H]- 269.079526 154.8
[M]+ 248.10431142 157.0
[M]- 248.10540858 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