CID 3163331

1-cyclopropanecarbonylpiperidin-4-amine

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

C1CC1C(=O)N2CCC(CC2)N

InChI

InChI=1S/C9H16N2O/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h7-8H,1-6,10H2

InChIKey

GCYSQXZPDQBVCH-UHFFFAOYSA-N

Compound name

(4-aminopiperidin-1-yl)-cyclopropylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 58
Patents: 168.12627 Da
Monoisotopic Mass: -0.2
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]+	169.13355	139.5
[M+Na]+	191.11549	146.1
[M-H]-	167.11899	144.6
[M+NH4]+	186.16009	153.2
[M+K]+	207.08943	143.5
[M+H-H2O]+	151.12353	132.3
[M+HCOO]-	213.12447	158.9
[M+CH3COO]-	227.14012	183.5
[M+Na-2H]-	189.10094	142.6
[M]+	168.12572	135.7
[M]-	168.12682	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe