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]+ 232.09682 149.3
[M+Na]+ 254.07876 157.3
[M-H]- 230.08226 153.6
[M+NH4]+ 249.12336 167.9
[M+K]+ 270.05270 154.8
[M+H-H2O]+ 214.08680 142.6
[M+HCOO]- 276.08774 172.6
[M+CH3COO]- 290.10339 192.9
[M+Na-2H]- 252.06421 155.4
[M]+ 231.08899 151.3
[M]- 231.09009 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