CID 21188531

1-boc-3-bromomethylpiperidine

Structural Information

Molecular Formula

C₁₁H₂₀BrNO₂

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CBr

InChI

InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8H2,1-3H3

InChIKey

MGGZYACWICDRRD-UHFFFAOYSA-N

Compound name

tert-butyl 3-(bromomethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 207
Patents: 277.06775 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]+	278.075026	159.0
[M+Na]+	300.056968	167.4
[M-H]-	276.060474	163.1
[M+NH4]+	295.101573	177.8
[M+K]+	316.030908	157.6
[M+H-H2O]+	260.065010	158.8
[M+HCOO]-	322.065951	173.3
[M+CH3COO]-	336.081601	194.3
[M+Na-2H]-	298.042416	163.1
[M]+	277.06720142	175.8
[M]-	277.06829858	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe