CID 9974426

89151-46-2

Structural Information

Molecular Formula

C₁₂H₂₂INO₂

SMILES

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

InChI

InChI=1S/C12H22INO2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h10H,4-9H2,1-3H3

InChIKey

IONMNRHLZXJDJX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 327
Patents: 339.06952 Da
Monoisotopic Mass: 3.7
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]+	340.07680	164.9
[M+Na]+	362.05874	162.4
[M-H]-	338.06224	159.2
[M+NH4]+	357.10334	176.9
[M+K]+	378.03268	167.2
[M+H-H2O]+	322.06678	155.0
[M+HCOO]-	384.06772	176.0
[M+CH3COO]-	398.08337	198.4
[M+Na-2H]-	360.04419	155.0
[M]+	339.06897	161.0
[M]-	339.07007	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe