CID 3020557

((1-amino-2-naphthyl)oxy)acetic acid

Structural Information

Molecular Formula

C₁₂H₁₁NO₃

SMILES

C1=CC=C2C(=C1)C=CC(=C2N)OCC(=O)O

InChI

InChI=1S/C12H11NO3/c13-12-9-4-2-1-3-8(9)5-6-10(12)16-7-11(14)15/h1-6H,7,13H2,(H,14,15)

InChIKey

YUDGWDNZKSVTHL-UHFFFAOYSA-N

Compound name

2-(1-aminonaphthalen-2-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 217.0739 Da
Monoisotopic Mass: 2.1
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]+	218.081176	144.6
[M+Na]+	240.063118	152.5
[M-H]-	216.066624	147.7
[M+NH4]+	235.107723	163.0
[M+K]+	256.037058	149.4
[M+H-H2O]+	200.071160	138.4
[M+HCOO]-	262.072101	166.8
[M+CH3COO]-	276.087751	188.1
[M+Na-2H]-	238.048566	150.8
[M]+	217.07335142	144.6
[M]-	217.07444858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe