CID 16227648

937602-01-2

Structural Information

Molecular Formula

C₁₂H₁₇N₃O

SMILES

C1CN(CCC1N)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C12H17N3O/c13-10-6-8-15(9-7-10)12(16)14-11-4-2-1-3-5-11/h1-5,10H,6-9,13H2,(H,14,16)

InChIKey

HNDPILCFPCXRSC-UHFFFAOYSA-N

Compound name

4-amino-N-phenylpiperidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.13716 Da
Monoisotopic Mass: 0.7
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]+	220.14444	150.0
[M+Na]+	242.12638	153.7
[M-H]-	218.12988	154.0
[M+NH4]+	237.17098	165.7
[M+K]+	258.10032	150.8
[M+H-H2O]+	202.13442	141.6
[M+HCOO]-	264.13536	170.3
[M+CH3COO]-	278.15101	190.8
[M+Na-2H]-	240.11183	154.1
[M]+	219.13661	142.5
[M]-	219.13771	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe