CID 89650007

Methyl 6-amino-2-fluoronicotinate

Structural Information

Molecular Formula

C₇H₇FN₂O₂

SMILES

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

InChI

InChI=1S/C7H7FN2O2/c1-12-7(11)4-2-3-5(9)10-6(4)8/h2-3H,1H3,(H2,9,10)

InChIKey

DXDKIPHFKCEHPN-UHFFFAOYSA-N

Compound name

methyl 6-amino-2-fluoropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 170.04915 Da
Monoisotopic Mass: 0.8
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]+	171.05643	132.5
[M+Na]+	193.03837	143.6
[M+NH4]+	188.08297	139.2
[M+K]+	209.01231	139.1
[M-H]-	169.04187	132.2
[M+Na-2H]-	191.02382	137.9
[M]+	170.04860	133.7
[M]-	170.04970	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe