CID 52404

1-(1-naphthyloxy)-2-butanone

Structural Information

Molecular Formula
C14H14O2
SMILES
CCC(=O)COC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H14O2/c1-2-12(15)10-16-14-9-5-7-11-6-3-4-8-13(11)14/h3-9H,2,10H2,1H3
InChIKey
QIWHGUWIXSKJKR-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yloxybutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.09938 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 146.7
[M+Na]+ 237.08860 160.9
[M+NH4]+ 232.13320 156.0
[M+K]+ 253.06254 153.0
[M-H]- 213.09210 149.8
[M+Na-2H]- 235.07405 154.2
[M]+ 214.09883 149.7
[M]- 214.09993 149.7
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.