CID 10821944

Methyl 4-amino-1-naphthoate

Structural Information

Molecular Formula
C12H11NO2
SMILES
COC(=O)C1=CC=C(C2=CC=CC=C21)N
InChI
InChI=1S/C12H11NO2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7H,13H2,1H3
InChIKey
LBYWWJUIABXSBG-UHFFFAOYSA-N
Compound name
methyl 4-aminonaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

201.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 141.8
[M+Na]+ 224.06820 155.2
[M+NH4]+ 219.11280 150.8
[M+K]+ 240.04214 148.6
[M-H]- 200.07170 145.1
[M+Na-2H]- 222.05365 148.9
[M]+ 201.07843 144.6
[M]- 201.07953 144.6
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