CID 58964419

866775-17-9

Structural Information

Molecular Formula

C₈H₇F₃N₂O₂

SMILES

COC(=O)C1=C(C=C(C=N1)C(F)(F)F)N

InChI

InChI=1S/C8H7F3N2O2/c1-15-7(14)6-5(12)2-4(3-13-6)8(9,10)11/h2-3H,12H2,1H3

InChIKey

RPBPQAHDCODVNJ-UHFFFAOYSA-N

Compound name

methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 221
Patents: 220.04596 Da
Monoisotopic Mass: 1.8
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]+	221.05324	146.4
[M+Na]+	243.03518	154.3
[M+NH4]+	238.07978	150.5
[M+K]+	259.00912	151.0
[M-H]-	219.03868	142.3
[M+Na-2H]-	241.02063	149.4
[M]+	220.04541	145.8
[M]-	220.04651	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe