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
1
Annotation Hits

0
References

76
Patents

228.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 147.7
[M+Na]+ 251.06786 156.2
[M-H]- 227.07136 152.7
[M+NH4]+ 246.11246 167.0
[M+K]+ 267.04180 153.9
[M+H-H2O]+ 211.07590 141.5
[M+HCOO]- 273.07684 169.6
[M+CH3COO]- 287.09249 191.6
[M+Na-2H]- 249.05331 152.8
[M]+ 228.07809 150.6
[M]- 228.07919 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