CID 211818

2-(dimethylamino)ethyl 5-fluoronicotinate

Structural Information

Molecular Formula

C₁₀H₁₃FN₂O₂

SMILES

CN(C)CCOC(=O)C1=CC(=CN=C1)F

InChI

InChI=1S/C10H13FN2O2/c1-13(2)3-4-15-10(14)8-5-9(11)7-12-6-8/h5-7H,3-4H2,1-2H3

InChIKey

YMMBHKNLOOIXRY-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 5-fluoropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.0961 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]+	213.103376	144.7
[M+Na]+	235.085318	152.0
[M-H]-	211.088824	147.1
[M+NH4]+	230.129923	162.5
[M+K]+	251.059258	151.5
[M+H-H2O]+	195.093360	136.4
[M+HCOO]-	257.094301	167.8
[M+CH3COO]-	271.109951	192.5
[M+Na-2H]-	233.070766	149.5
[M]+	212.09555142	146.7
[M]-	212.09664858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.