CID 4056053

Diethyl naphthalene-2,3-dicarboxylate

Structural Information

Molecular Formula
C16H16O4
SMILES
CCOC(=O)C1=CC2=CC=CC=C2C=C1C(=O)OCC
InChI
InChI=1S/C16H16O4/c1-3-19-15(17)13-9-11-7-5-6-8-12(11)10-14(13)16(18)20-4-2/h5-10H,3-4H2,1-2H3
InChIKey
YEHPWDJFRGQQIM-UHFFFAOYSA-N
Compound name
diethyl naphthalene-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

272.10486 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 160.7
[M+Na]+ 295.09408 168.2
[M-H]- 271.09758 165.2
[M+NH4]+ 290.13868 178.1
[M+K]+ 311.06802 166.0
[M+H-H2O]+ 255.10212 153.8
[M+HCOO]- 317.10306 182.0
[M+CH3COO]- 331.11871 199.0
[M+Na-2H]- 293.07953 164.7
[M]+ 272.10431 165.6
[M]- 272.10541 165.6
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