CID 6474165

Alpha-(2-hydroxy-propenyl)-2,4-dimethoxycinnamic acid, lactone

Structural Information

Molecular Formula
C14H14O4
SMILES
CC1=C/C(=C/C2=C(C=C(C=C2)OC)OC)/C(=O)O1
InChI
InChI=1S/C14H14O4/c1-9-6-11(14(15)18-9)7-10-4-5-12(16-2)8-13(10)17-3/h4-8H,1-3H3/b11-7-
InChIKey
DHAHXIYLMDATKE-XFFZJAGNSA-N
Compound name
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-methylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 151.8
[M+Na]+ 269.07842 161.6
[M-H]- 245.08192 160.1
[M+NH4]+ 264.12302 170.3
[M+K]+ 285.05236 160.1
[M+H-H2O]+ 229.08646 145.9
[M+HCOO]- 291.08740 175.9
[M+CH3COO]- 305.10305 192.9
[M+Na-2H]- 267.06387 154.8
[M]+ 246.08865 156.8
[M]- 246.08975 156.8
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.