CID 59553142

Methyl 2-[(4-aminonaphthalen-1-yl)oxy]acetate

Structural Information

Molecular Formula
C13H13NO3
SMILES
COC(=O)COC1=CC=C(C2=CC=CC=C21)N
InChI
InChI=1S/C13H13NO3/c1-16-13(15)8-17-12-7-6-11(14)9-4-2-3-5-10(9)12/h2-7H,8,14H2,1H3
InChIKey
GTWCPDPLKYLNER-UHFFFAOYSA-N
Compound name
methyl 2-(4-aminonaphthalen-1-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

231.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.096816 149.3
[M+Na]+ 254.078758 157.3
[M-H]- 230.082264 153.6
[M+NH4]+ 249.123363 167.9
[M+K]+ 270.052698 154.8
[M+H-H2O]+ 214.086800 142.6
[M+HCOO]- 276.087741 172.6
[M+CH3COO]- 290.103391 192.9
[M+Na-2H]- 252.064206 155.4
[M]+ 231.08899142 151.3
[M]- 231.09008858 151.3
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