CID 3039065

3-(1-naphthyl)-2-cyclohexen-1-one

Structural Information

Molecular Formula
C16H14O
SMILES
C1CC(=CC(=O)C1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C16H14O/c17-14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16/h1-2,4-6,9-11H,3,7-8H2
InChIKey
SCWXBLKCYRMBOX-UHFFFAOYSA-N
Compound name
3-naphthalen-1-ylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

222.10446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.111736 148.1
[M+Na]+ 245.093678 155.3
[M-H]- 221.097184 155.4
[M+NH4]+ 240.138283 167.1
[M+K]+ 261.067618 150.6
[M+H-H2O]+ 205.101720 140.6
[M+HCOO]- 267.102661 169.1
[M+CH3COO]- 281.118311 160.7
[M+Na-2H]- 243.079126 154.8
[M]+ 222.10391142 145.1
[M]- 222.10500858 145.1
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