CID 3011754

2,3-diethyl-1,4-naphthoquinone

Structural Information

Molecular Formula
C14H14O2
SMILES
CCC1=C(C(=O)C2=CC=CC=C2C1=O)CC
InChI
InChI=1S/C14H14O2/c1-3-9-10(4-2)14(16)12-8-6-5-7-11(12)13(9)15/h5-8H,3-4H2,1-2H3
InChIKey
AAHIKPPSMXWKAV-UHFFFAOYSA-N
Compound name
2,3-diethylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

214.09938 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe