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]+ 267.13796 160.5
[M+Na]+ 289.11990 168.6
[M-H]- 265.12340 168.2
[M+NH4]+ 284.16450 178.3
[M+K]+ 305.09384 164.2
[M+H-H2O]+ 249.12794 152.7
[M+HCOO]- 311.12888 181.0
[M+CH3COO]- 325.14453 200.3
[M+Na-2H]- 287.10535 164.7
[M]+ 266.13013 160.5
[M]- 266.13123 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.