CID 1511131

Methyl 3,5-dimethoxy-2-naphthoate

Structural Information

Molecular Formula
C14H14O4
SMILES
COC1=CC=CC2=CC(=C(C=C21)OC)C(=O)OC
InChI
InChI=1S/C14H14O4/c1-16-12-6-4-5-9-7-11(14(15)18-3)13(17-2)8-10(9)12/h4-8H,1-3H3
InChIKey
FLXZIIPKKOBHKU-UHFFFAOYSA-N
Compound name
methyl 3,5-dimethoxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

246.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 151.8
[M+Na]+ 269.07842 161.1
[M-H]- 245.08192 157.0
[M+NH4]+ 264.12302 170.7
[M+K]+ 285.05236 159.5
[M+H-H2O]+ 229.08646 145.3
[M+HCOO]- 291.08740 174.6
[M+CH3COO]- 305.10305 194.9
[M+Na-2H]- 267.06387 157.5
[M]+ 246.08865 157.8
[M]- 246.08975 157.8
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