CID 64950513

1254475-68-7

Structural Information

Molecular Formula

C₁₀H₁₂FNO₂

SMILES

CC(C)(C)OC(=O)C1=C(C=NC=C1)F

InChI

InChI=1S/C10H12FNO2/c1-10(2,3)14-9(13)7-4-5-12-6-8(7)11/h4-6H,1-3H3

InChIKey

QVFMZEBJUUOKCF-UHFFFAOYSA-N

Compound name

tert-butyl 3-fluoropyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 197.0852 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]+	198.092476	140.7
[M+Na]+	220.074418	149.3
[M-H]-	196.077924	142.1
[M+NH4]+	215.119023	159.1
[M+K]+	236.048358	148.0
[M+H-H2O]+	180.082460	133.8
[M+HCOO]-	242.083401	160.7
[M+CH3COO]-	256.099051	183.8
[M+Na-2H]-	218.059866	146.7
[M]+	197.08465142	141.7
[M]-	197.08574858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe