CID 14678747

Ethyl 3-amino-2-naphthoate

Structural Information

Molecular Formula
C13H13NO2
SMILES
CCOC(=O)C1=CC2=CC=CC=C2C=C1N
InChI
InChI=1S/C13H13NO2/c1-2-16-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14/h3-8H,2,14H2,1H3
InChIKey
OPZJRRFHEFBPCY-UHFFFAOYSA-N
Compound name
ethyl 3-aminonaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

215.09464 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 146.3
[M+Na]+ 238.08386 154.4
[M-H]- 214.08736 150.6
[M+NH4]+ 233.12846 165.7
[M+K]+ 254.05780 151.4
[M+H-H2O]+ 198.09190 139.9
[M+HCOO]- 260.09284 169.5
[M+CH3COO]- 274.10849 190.7
[M+Na-2H]- 236.06931 152.3
[M]+ 215.09409 146.9
[M]- 215.09519 146.9
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