CID 367158

5-(2-methoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

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 154.0
[M+Na]+ 285.07336 163.1
[M-H]- 261.07686 162.7
[M+NH4]+ 280.11796 170.4
[M+K]+ 301.04730 163.4
[M+H-H2O]+ 245.08140 147.8
[M+HCOO]- 307.08234 173.9
[M+CH3COO]- 321.09799 195.1
[M+Na-2H]- 283.05881 159.8
[M]+ 262.08359 157.2
[M]- 262.08469 157.2
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.