CID 12742483

2197409-26-8

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CCC(C(=O)N1CCCCC1)N

InChI

InChI=1S/C9H18N2O/c1-2-8(10)9(12)11-6-4-3-5-7-11/h8H,2-7,10H2,1H3

InChIKey

ZCICKIPNYNVXMI-UHFFFAOYSA-N

Compound name

2-amino-1-piperidin-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 170.1419 Da
Monoisotopic Mass: 0.6
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]+	171.14918	141.4
[M+Na]+	193.13112	144.6
[M-H]-	169.13462	141.9
[M+NH4]+	188.17572	159.4
[M+K]+	209.10506	143.8
[M+H-H2O]+	153.13916	134.5
[M+HCOO]-	215.14010	159.1
[M+CH3COO]-	229.15575	181.4
[M+Na-2H]-	191.11657	143.3
[M]+	170.14135	135.0
[M]-	170.14245	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe