CID 259760

2-cyclohexyl-1,4-naphthoquinone

Structural Information

Molecular Formula
C16H16O2
SMILES
C1CCC(CC1)C2=CC(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H16O2/c17-15-10-14(11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)15/h4-5,8-11H,1-3,6-7H2
InChIKey
LBXMBBATNWKPGI-UHFFFAOYSA-N
Compound name
2-cyclohexylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

48
Patents

240.11504 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 152.7
[M+Na]+ 263.10426 159.0
[M-H]- 239.10776 159.6
[M+NH4]+ 258.14886 171.0
[M+K]+ 279.07820 154.7
[M+H-H2O]+ 223.11230 145.3
[M+HCOO]- 285.11324 171.2
[M+CH3COO]- 299.12889 164.5
[M+Na-2H]- 261.08971 156.7
[M]+ 240.11449 148.0
[M]- 240.11559 148.0
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