CID 3056710

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

Structural Information

Molecular Formula
C14H14O3
SMILES
CC(=O)COC1=C(C=CC2=CC=CC=C21)OC
InChI
InChI=1S/C14H14O3/c1-10(15)9-17-14-12-6-4-3-5-11(12)7-8-13(14)16-2/h3-8H,9H2,1-2H3
InChIKey
BWOSWTATBUUOBB-UHFFFAOYSA-N
Compound name
1-(2-methoxynaphthalen-1-yl)oxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.10158 149.1
[M+Na]+ 253.08352 157.5
[M-H]- 229.08702 153.9
[M+NH4]+ 248.12812 168.4
[M+K]+ 269.05746 155.3
[M+H-H2O]+ 213.09156 142.6
[M+HCOO]- 275.09250 171.8
[M+CH3COO]- 289.10815 192.2
[M+Na-2H]- 251.06897 155.4
[M]+ 230.09375 153.4
[M]- 230.09485 153.4
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.