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

19
Patents

222.10446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11174 148.1
[M+Na]+ 245.09368 155.3
[M-H]- 221.09718 155.4
[M+NH4]+ 240.13828 167.1
[M+K]+ 261.06762 150.6
[M+H-H2O]+ 205.10172 140.6
[M+HCOO]- 267.10266 169.1
[M+CH3COO]- 281.11831 160.7
[M+Na-2H]- 243.07913 154.8
[M]+ 222.10391 145.1
[M]- 222.10501 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