CID 15541517

180695-79-8

Structural Information

Molecular Formula

C₁₀H₁₈BrNO₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)Br

InChI

InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7H2,1-3H3

InChIKey

KZBWIYHDNQHMET-UHFFFAOYSA-N

Compound name

tert-butyl 4-bromopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1252
Patents: 263.0521 Da
Monoisotopic Mass: 2.4
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]+	264.05938	154.4
[M+Na]+	286.04132	163.2
[M-H]-	262.04482	158.7
[M+NH4]+	281.08592	173.8
[M+K]+	302.01526	153.7
[M+H-H2O]+	246.04936	154.4
[M+HCOO]-	308.05030	169.0
[M+CH3COO]-	322.06595	191.5
[M+Na-2H]-	284.02677	159.0
[M]+	263.05155	170.9
[M]-	263.05265	170.9

Literature stripe

literature stripe

Patent stripe

patents stripe