CID 51354888

1237535-76-0

Structural Information

Molecular Formula

C₁₀H₁₃FN₂O₂

SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1)F

InChI

InChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h4-6H,1-3H3,(H,12,13,14)

InChIKey

VIUIAFNUKMJWFD-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-fluoro-2-pyridinyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 212.0961 Da
Monoisotopic Mass: 1.9
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	145.6
[M+Na]+	235.085318	153.4
[M-H]-	211.088824	147.0
[M+NH4]+	230.129923	163.1
[M+K]+	251.059258	152.0
[M+H-H2O]+	195.093360	138.2
[M+HCOO]-	257.094301	166.7
[M+CH3COO]-	271.109951	188.0
[M+Na-2H]-	233.070766	151.9
[M]+	212.09555142	145.7
[M]-	212.09664858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe