CID 51973

1-(4-acetyl-1-naphthyloxy)-2-hexanone

Structural Information

Molecular Formula
C18H20O3
SMILES
CCCCC(=O)COC1=CC=C(C2=CC=CC=C21)C(=O)C
InChI
InChI=1S/C18H20O3/c1-3-4-7-14(20)12-21-18-11-10-15(13(2)19)16-8-5-6-9-17(16)18/h5-6,8-11H,3-4,7,12H2,1-2H3
InChIKey
SAIAUJSZZHUFQO-UHFFFAOYSA-N
Compound name
1-(4-acetylnaphthalen-1-yl)oxyhexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14124 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 166.8
[M+Na]+ 307.13046 173.3
[M-H]- 283.13396 170.8
[M+NH4]+ 302.17506 183.5
[M+K]+ 323.10440 170.0
[M+H-H2O]+ 267.13850 159.6
[M+HCOO]- 329.13944 187.1
[M+CH3COO]- 343.15509 204.2
[M+Na-2H]- 305.11591 169.6
[M]+ 284.14069 171.0
[M]- 284.14179 171.0
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.