CID 367158

15795-56-9

Structural Information

Molecular Formula
C14H14O5
SMILES
CC1(OC(=O)C(=CC2=CC=CC=C2OC)C(=O)O1)C
InChI
InChI=1S/C14H14O5/c1-14(2)18-12(15)10(13(16)19-14)8-9-6-4-5-7-11(9)17-3/h4-8H,1-3H3
InChIKey
CNEJJACJHKSHJO-UHFFFAOYSA-N
Compound name
5-[(2-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.08414 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09142 155.6
[M+Na]+ 285.07336 169.0
[M+NH4]+ 280.11796 163.7
[M+K]+ 301.04730 162.0
[M-H]- 261.07686 160.8
[M+Na-2H]- 283.05881 162.0
[M]+ 262.08359 159.1
[M]- 262.08469 159.1
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

No patent data available for this compound.