CID 46242830

1207176-24-6

Structural Information

Molecular Formula

C₁₁H₁₉BrFNO₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CBr)F

InChI

InChI=1S/C11H19BrFNO2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-8H2,1-3H3

InChIKey

USTMSYLQMJWLAB-UHFFFAOYSA-N

Compound name

tert-butyl 4-(bromomethyl)-4-fluoropiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 295.05832 Da
Monoisotopic Mass: 2.6
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]+	296.06560	160.5
[M+Na]+	318.04754	169.8
[M-H]-	294.05104	163.6
[M+NH4]+	313.09214	180.5
[M+K]+	334.02148	159.9
[M+H-H2O]+	278.05558	160.5
[M+HCOO]-	340.05652	173.9
[M+CH3COO]-	354.07217	196.4
[M+Na-2H]-	316.03299	165.3
[M]+	295.05777	176.7
[M]-	295.05887	176.7

Literature stripe

literature stripe

Patent stripe

patents stripe