CID 51975

1-(4-acetyl-1-naphthyloxy)-3-pentanone

Structural Information

Molecular Formula
C17H18O3
SMILES
CCC(=O)CCOC1=CC=C(C2=CC=CC=C21)C(=O)C
InChI
InChI=1S/C17H18O3/c1-3-13(19)10-11-20-17-9-8-14(12(2)18)15-6-4-5-7-16(15)17/h4-9H,3,10-11H2,1-2H3
InChIKey
PXQISXLRLFSIAU-UHFFFAOYSA-N
Compound name
1-(4-acetylnaphthalen-1-yl)oxypentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12558 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 161.9
[M+Na]+ 293.11480 175.0
[M+NH4]+ 288.15940 169.7
[M+K]+ 309.08874 167.9
[M-H]- 269.11830 164.0
[M+Na-2H]- 291.10025 167.5
[M]+ 270.12503 164.3
[M]- 270.12613 164.3
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.