CID 10541625

169457-73-2

Structural Information

Molecular Formula

C₁₂H₂₂BrNO₂

SMILES

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

InChI

InChI=1S/C12H22BrNO2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h10H,4-9H2,1-3H3

InChIKey

CLBWAEYOPRGKBT-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-bromoethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 408
Patents: 291.0834 Da
Monoisotopic Mass: 3.0
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]+	292.090676	163.6
[M+Na]+	314.072618	171.6
[M-H]-	290.076124	167.5
[M+NH4]+	309.117223	181.8
[M+K]+	330.046558	161.5
[M+H-H2O]+	274.080660	163.2
[M+HCOO]-	336.081601	177.6
[M+CH3COO]-	350.097251	197.1
[M+Na-2H]-	312.058066	167.1
[M]+	291.08285142	180.7
[M]-	291.08394858	180.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe