CID 3056663

2-(1-naphthyloxy)-1-cyclohexanone

Structural Information

Molecular Formula
C16H16O2
SMILES
C1CCC(=O)C(C1)OC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C16H16O2/c17-14-9-3-4-10-16(14)18-15-11-5-7-12-6-1-2-8-13(12)15/h1-2,5-8,11,16H,3-4,9-10H2
InChIKey
XXGVNKBVPMFYFE-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yloxycyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11504 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 152.8
[M+Na]+ 263.10426 158.9
[M-H]- 239.10776 159.7
[M+NH4]+ 258.14886 170.9
[M+K]+ 279.07820 154.9
[M+H-H2O]+ 223.11230 145.0
[M+HCOO]- 285.11324 172.6
[M+CH3COO]- 299.12889 164.7
[M+Na-2H]- 261.08971 158.5
[M]+ 240.11449 149.8
[M]- 240.11559 149.8
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