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

2
Patents

214.09938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 144.3
[M+Na]+ 237.08860 154.3
[M-H]- 213.09210 149.5
[M+NH4]+ 232.13320 164.9
[M+K]+ 253.06254 150.6
[M+H-H2O]+ 197.09664 138.6
[M+HCOO]- 259.09758 166.5
[M+CH3COO]- 273.11323 191.2
[M+Na-2H]- 235.07405 149.5
[M]+ 214.09883 146.4
[M]- 214.09993 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