CID 4778217

1171497-43-0

Structural Information

Molecular Formula

C₁₁H₁₅N₃O

SMILES

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

InChI

InChI=1S/C11H15N3O/c12-10-3-7-14(8-4-10)11(15)9-1-5-13-6-2-9/h1-2,5-6,10H,3-4,7-8,12H2

InChIKey

URGXEIDULPADAB-UHFFFAOYSA-N

Compound name

(4-aminopiperidin-1-yl)-pyridin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 205.1215 Da
Monoisotopic Mass: -0.1
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]+	206.12878	146.8
[M+Na]+	228.11072	151.8
[M-H]-	204.11422	149.5
[M+NH4]+	223.15532	162.0
[M+K]+	244.08466	148.8
[M+H-H2O]+	188.11876	137.9
[M+HCOO]-	250.11970	165.0
[M+CH3COO]-	264.13535	186.1
[M+Na-2H]-	226.09617	151.0
[M]+	205.12095	140.2
[M]-	205.12205	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe