CID 15512811

158407-04-6

Structural Information

Molecular Formula

C₁₁H₂₀BrNO₂

SMILES

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

InChI

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

InChIKey

YGJXBTRLYHCWGD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1560
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]+	278.07503	159.0
[M+Na]+	300.05697	167.4
[M-H]-	276.06047	163.1
[M+NH4]+	295.10157	177.8
[M+K]+	316.03091	157.6
[M+H-H2O]+	260.06501	158.8
[M+HCOO]-	322.06595	173.3
[M+CH3COO]-	336.08160	194.3
[M+Na-2H]-	298.04242	163.1
[M]+	277.06720	175.8
[M]-	277.06830	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe