CID 45082574

Methyl 2-amino-2-(pyridin-3-yl)acetate dihydrochloride

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

COC(=O)C(C1=CN=CC=C1)N

InChI

InChI=1S/C8H10N2O2/c1-12-8(11)7(9)6-3-2-4-10-5-6/h2-5,7H,9H2,1H3

InChIKey

AHRUJZICYBJXIK-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-pyridin-3-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 166.07423 Da
Monoisotopic Mass: -0.2
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]+	167.08151	134.3
[M+Na]+	189.06345	145.0
[M+NH4]+	184.10805	141.5
[M+K]+	205.03739	140.7
[M-H]-	165.06695	135.2
[M+Na-2H]-	187.04890	140.3
[M]+	166.07368	135.7
[M]-	166.07478	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe