CID 4349576

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

Structural Information

Molecular Formula
C17H14O4
SMILES
CC1(OC(=O)C(=CC2=CC=CC3=CC=CC=C32)C(=O)O1)C
InChI
InChI=1S/C17H14O4/c1-17(2)20-15(18)14(16(19)21-17)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-10H,1-2H3
InChIKey
MTBTVQIKHNOSNR-UHFFFAOYSA-N
Compound name
2,2-dimethyl-5-(naphthalen-1-ylmethylidene)-1,3-dioxane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.0892 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 161.9
[M+Na]+ 305.07842 177.1
[M+NH4]+ 300.12302 171.4
[M+K]+ 321.05236 168.3
[M-H]- 281.08192 168.7
[M+Na-2H]- 303.06387 169.3
[M]+ 282.08865 166.3
[M]- 282.08975 166.3
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.