CID 28976674

1416549-80-8

Structural Information

Molecular Formula

C₁₂H₁₅IN₂O

SMILES

C1CNCCC1C(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C12H15IN2O/c13-10-1-3-11(4-2-10)15-12(16)9-5-7-14-8-6-9/h1-4,9,14H,5-8H2,(H,15,16)

InChIKey

SBDQDJNAKIGNSO-UHFFFAOYSA-N

Compound name

N-(4-iodophenyl)piperidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 330.02292 Da
Monoisotopic Mass: 1.8
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]+	331.03020	159.8
[M+Na]+	353.01214	156.6
[M-H]-	329.01564	155.5
[M+NH4]+	348.05674	170.2
[M+K]+	368.98608	158.7
[M+H-H2O]+	313.02018	148.2
[M+HCOO]-	375.02112	172.9
[M+CH3COO]-	389.03677	195.5
[M+Na-2H]-	350.99759	151.5
[M]+	330.02237	150.0
[M]-	330.02347	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe