CID 22340478

214628-89-4

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

COC(=O)C1=CC2=C(C=C1)C(=CC=C2)N

InChI

InChI=1S/C12H11NO2/c1-15-12(14)9-5-6-10-8(7-9)3-2-4-11(10)13/h2-7H,13H2,1H3

InChIKey

FQINCIUCUPLHKP-UHFFFAOYSA-N

Compound name

methyl 5-aminonaphthalene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 201.07898 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	202.086256	141.5
[M+Na]+	224.068198	150.1
[M-H]-	200.071704	146.1
[M+NH4]+	219.112803	161.5
[M+K]+	240.042138	147.3
[M+H-H2O]+	184.076240	135.3
[M+HCOO]-	246.077181	165.1
[M+CH3COO]-	260.092831	187.7
[M+Na-2H]-	222.053646	148.1
[M]+	201.07843142	141.8
[M]-	201.07952858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe