CID 21580769

850761-36-3

Structural Information

Molecular Formula

C₁₀H₁₈INO₂

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)I

InChI

InChI=1S/C10H18INO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7H2,1-3H3

InChIKey

JXEZFSNOYBRXFT-UHFFFAOYSA-N

Compound name

tert-butyl 3-iodopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 311.03824 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]+	312.04552	155.2
[M+Na]+	334.02746	153.5
[M-H]-	310.03096	149.9
[M+NH4]+	329.07206	168.3
[M+K]+	350.00140	158.8
[M+H-H2O]+	294.03550	145.7
[M+HCOO]-	356.03644	167.0
[M+CH3COO]-	370.05209	192.7
[M+Na-2H]-	332.01291	146.5
[M]+	311.03769	150.7
[M]-	311.03879	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe