CID 72941804

343272-51-5

Structural Information

Molecular Formula
C18H18O2
SMILES
CC1=CC(=O)CC(C1)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C18H18O2/c1-12-7-16(10-17(19)8-12)14-3-4-15-11-18(20-2)6-5-13(15)9-14/h3-6,8-9,11,16H,7,10H2,1-2H3
InChIKey
JLWOUMFNVRFNNZ-UHFFFAOYSA-N
Compound name
5-(6-methoxynaphthalen-2-yl)-3-methylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.137956 160.5
[M+Na]+ 289.119898 168.6
[M-H]- 265.123404 168.2
[M+NH4]+ 284.164503 178.3
[M+K]+ 305.093838 164.2
[M+H-H2O]+ 249.127940 152.7
[M+HCOO]- 311.128881 181.0
[M+CH3COO]- 325.144531 200.3
[M+Na-2H]- 287.105346 164.7
[M]+ 266.13013142 160.5
[M]- 266.13122858 160.5
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

No patent data available for this compound.