CID 10448961

145508-94-7

Structural Information

Molecular Formula

C₁₁H₂₀INO₂

SMILES

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

InChI

InChI=1S/C11H20INO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3

InChIKey

RSMNYTJCWIDZAH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 347
Patents: 325.0539 Da
Monoisotopic Mass: 3.1
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]+	326.061176	160.1
[M+Na]+	348.043118	158.0
[M-H]-	324.046624	154.5
[M+NH4]+	343.087723	172.6
[M+K]+	364.017058	163.0
[M+H-H2O]+	308.051160	150.3
[M+HCOO]-	370.052101	171.5
[M+CH3COO]-	384.067751	195.6
[M+Na-2H]-	346.028566	150.8
[M]+	325.05335142	155.9
[M]-	325.05444858	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe