CID 75913

1-(6-methoxy-2-naphthyl)propan-1-one

Structural Information

Molecular Formula
C14H14O2
SMILES
CCC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC
InChI
InChI=1S/C14H14O2/c1-3-14(15)12-5-4-11-9-13(16-2)7-6-10(11)8-12/h4-9H,3H2,1-2H3
InChIKey
LWOTXBQKJLOAOZ-UHFFFAOYSA-N
Compound name
1-(6-methoxynaphthalen-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

184
Patents

214.09938 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 145.8
[M+Na]+ 237.08860 154.4
[M-H]- 213.09210 150.7
[M+NH4]+ 232.13320 165.9
[M+K]+ 253.06254 151.5
[M+H-H2O]+ 197.09664 139.6
[M+HCOO]- 259.09758 168.3
[M+CH3COO]- 273.11323 190.1
[M+Na-2H]- 235.07405 152.1
[M]+ 214.09883 148.6
[M]- 214.09993 148.6
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