CID 2735241

1-acetyl-4-cyclopropylaminopiperidine

Structural Information

Molecular Formula

C₁₀H₁₈N₂O

SMILES

CC(=O)N1CCC(CC1)NC2CC2

InChI

InChI=1S/C10H18N2O/c1-8(13)12-6-4-10(5-7-12)11-9-2-3-9/h9-11H,2-7H2,1H3

InChIKey

KWLJTPCIXGQHSB-UHFFFAOYSA-N

Compound name

1-[4-(cyclopropylamino)piperidin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 182.1419 Da
Monoisotopic Mass: 0.4
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]+	183.149176	143.9
[M+Na]+	205.131118	150.0
[M-H]-	181.134624	149.2
[M+NH4]+	200.175723	157.2
[M+K]+	221.105058	147.5
[M+H-H2O]+	165.139160	136.4
[M+HCOO]-	227.140101	163.5
[M+CH3COO]-	241.155751	187.1
[M+Na-2H]-	203.116566	147.4
[M]+	182.14135142	141.3
[M]-	182.14244858	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe