CID 203016

2-propanone, 1-(2-naphthyloxy)-

Structural Information

Molecular Formula
C13H12O2
SMILES
CC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H12O2/c1-10(14)9-15-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9H2,1H3
InChIKey
XZKIQVHTBKDYKE-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yloxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

200.08372 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.090996 141.6
[M+Na]+ 223.072938 149.7
[M-H]- 199.076444 146.2
[M+NH4]+ 218.117543 161.9
[M+K]+ 239.046878 147.0
[M+H-H2O]+ 183.080980 135.4
[M+HCOO]- 245.081921 164.5
[M+CH3COO]- 259.097571 186.0
[M+Na-2H]- 221.058386 149.1
[M]+ 200.08317142 143.7
[M]- 200.08426858 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe