CID 294770

91418-45-0

Structural Information

Molecular Formula
C13H14O4
SMILES
CC(=O)C(=CC1=CC(=C(C=C1)O)OC)C(=O)C
InChI
InChI=1S/C13H14O4/c1-8(14)11(9(2)15)6-10-4-5-12(16)13(7-10)17-3/h4-7,16H,1-3H3
InChIKey
XMAWAPAJKQHUHU-UHFFFAOYSA-N
Compound name
3-[(4-hydroxy-3-methoxyphenyl)methylidene]pentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

234.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 149.9
[M+Na]+ 257.07842 157.1
[M-H]- 233.08192 152.4
[M+NH4]+ 252.12302 167.1
[M+K]+ 273.05236 155.2
[M+H-H2O]+ 217.08646 144.2
[M+HCOO]- 279.08740 170.2
[M+CH3COO]- 293.10305 190.7
[M+Na-2H]- 255.06387 150.6
[M]+ 234.08865 151.9
[M]- 234.08975 151.9
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.