CID 49767378

2,6-diethylnaphthalene-1,4-dione

Structural Information

Molecular Formula
C14H14O2
SMILES
CCC1=CC2=C(C=C1)C(=O)C(=CC2=O)CC
InChI
InChI=1S/C14H14O2/c1-3-9-5-6-11-12(7-9)13(15)8-10(4-2)14(11)16/h5-8H,3-4H2,1-2H3
InChIKey
KUXKPBRIBDXJMO-UHFFFAOYSA-N
Compound name
2,6-diethylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.09938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.106656 144.3
[M+Na]+ 237.088598 154.3
[M-H]- 213.092104 149.5
[M+NH4]+ 232.133203 164.9
[M+K]+ 253.062538 150.6
[M+H-H2O]+ 197.096640 138.6
[M+HCOO]- 259.097581 166.5
[M+CH3COO]- 273.113231 191.2
[M+Na-2H]- 235.074046 149.5
[M]+ 214.09883142 146.4
[M]- 214.09992858 146.4
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

patents stripe