CID 46222385

Methyl 4-acetyl-1-naphthalenecarboxylate

Structural Information

Molecular Formula
C14H12O3
SMILES
CC(=O)C1=CC=C(C2=CC=CC=C21)C(=O)OC
InChI
InChI=1S/C14H12O3/c1-9(15)10-7-8-13(14(16)17-2)12-6-4-3-5-11(10)12/h3-8H,1-2H3
InChIKey
SFXMQSPSAVKMTF-UHFFFAOYSA-N
Compound name
methyl 4-acetylnaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
Patents

228.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 147.7
[M+Na]+ 251.067858 156.2
[M-H]- 227.071364 152.7
[M+NH4]+ 246.112463 167.0
[M+K]+ 267.041798 153.9
[M+H-H2O]+ 211.075900 141.5
[M+HCOO]- 273.076841 169.6
[M+CH3COO]- 287.092491 191.6
[M+Na-2H]- 249.053306 152.8
[M]+ 228.07809142 150.6
[M]- 228.07918858 150.6
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

patents stripe