CID 296952

Methyl 3-methoxy-2-naphthoate

Structural Information

Molecular Formula
C13H12O3
SMILES
COC1=CC2=CC=CC=C2C=C1C(=O)OC
InChI
InChI=1S/C13H12O3/c1-15-12-8-10-6-4-3-5-9(10)7-11(12)13(14)16-2/h3-8H,1-2H3
InChIKey
MPLSAOVNAXJHHI-UHFFFAOYSA-N
Compound name
methyl 3-methoxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

206
Patents

216.07864 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 144.5
[M+Na]+ 239.06786 153.5
[M-H]- 215.07136 149.6
[M+NH4]+ 234.11246 164.5
[M+K]+ 255.04180 151.4
[M+H-H2O]+ 199.07590 138.3
[M+HCOO]- 261.07684 167.6
[M+CH3COO]- 275.09249 188.5
[M+Na-2H]- 237.05331 151.4
[M]+ 216.07809 148.3
[M]- 216.07919 148.3
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