CID 61225

Dimethyl 2,6-naphthalenedicarboxylate

Structural Information

Molecular Formula
C14H12O4
SMILES
COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)OC
InChI
InChI=1S/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3
InChIKey
GYUVMLBYMPKZAZ-UHFFFAOYSA-N
Compound name
dimethyl naphthalene-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

8372
Patents

244.07356 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.080836 151.1
[M+Na]+ 267.062778 159.5
[M-H]- 243.066284 156.0
[M+NH4]+ 262.107383 169.7
[M+K]+ 283.036718 157.8
[M+H-H2O]+ 227.070820 144.6
[M+HCOO]- 289.071761 173.1
[M+CH3COO]- 303.087411 193.1
[M+Na-2H]- 265.048226 156.2
[M]+ 244.07301142 155.3
[M]- 244.07410858 155.3
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