CID 131118689

1803894-95-2

Structural Information

Molecular Formula

C₇H₇FN₂O₂

SMILES

COC(=O)C1=CN=C(C=C1F)N

InChI

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

InChIKey

LCVCGGJOGTZIIT-UHFFFAOYSA-N

Compound name

methyl 6-amino-4-fluoropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.04915 Da
Monoisotopic Mass: 0.5
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]+	171.056426	131.3
[M+Na]+	193.038368	140.7
[M-H]-	169.041874	132.6
[M+NH4]+	188.082973	150.2
[M+K]+	209.012308	139.2
[M+H-H2O]+	153.046410	124.1
[M+HCOO]-	215.047351	154.3
[M+CH3COO]-	229.063001	180.4
[M+Na-2H]-	191.023816	136.7
[M]+	170.04860142	130.3
[M]-	170.04969858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.