CID 77506

2-acetyl-6-methoxynaphthalene

Structural Information

Molecular Formula
C13H12O2
SMILES
CC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC
InChI
InChI=1S/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3
InChIKey
GGWCZBGAIGGTDA-UHFFFAOYSA-N
Compound name
1-(6-methoxynaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1004
Patents

200.08372 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09100 141.0
[M+Na]+ 223.07294 150.0
[M-H]- 199.07644 146.0
[M+NH4]+ 218.11754 161.6
[M+K]+ 239.04688 147.4
[M+H-H2O]+ 183.08098 135.0
[M+HCOO]- 245.08192 163.8
[M+CH3COO]- 259.09757 187.1
[M+Na-2H]- 221.05839 147.8
[M]+ 200.08317 143.5
[M]- 200.08427 143.5
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