CID 19697699

791563-61-6

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CC(=O)N1CCC(CC1)CCN

InChI

InChI=1S/C9H18N2O/c1-8(12)11-6-3-9(2-5-10)4-7-11/h9H,2-7,10H2,1H3

InChIKey

KCVCXSGVHBGIHR-UHFFFAOYSA-N

Compound name

1-[4-(2-aminoethyl)piperidin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 170.1419 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]+	171.149176	140.8
[M+Na]+	193.131118	145.3
[M-H]-	169.134624	141.6
[M+NH4]+	188.175723	159.3
[M+K]+	209.105058	144.0
[M+H-H2O]+	153.139160	134.1
[M+HCOO]-	215.140101	159.5
[M+CH3COO]-	229.155751	181.7
[M+Na-2H]-	191.116566	143.3
[M]+	170.14135142	135.5
[M]-	170.14244858	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe