CID 3859696

Methyl 1,4-dimethoxy-2-naphthoate

Structural Information

Molecular Formula
C14H14O4
SMILES
COC1=CC(=C(C2=CC=CC=C21)OC)C(=O)OC
InChI
InChI=1S/C14H14O4/c1-16-12-8-11(14(15)18-3)13(17-2)10-7-5-4-6-9(10)12/h4-8H,1-3H3
InChIKey
YCLPKVULIDNCMN-UHFFFAOYSA-N
Compound name
methyl 1,4-dimethoxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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

No literature data available for this compound.

Patent stripe

patents stripe