CID 61296464

2411289-52-4

Structural Information

Molecular Formula

C₁₀H₁₈N₂O

SMILES

C1CC(C1)C(=O)N2CCCC(C2)N

InChI

InChI=1S/C10H18N2O/c11-9-5-2-6-12(7-9)10(13)8-3-1-4-8/h8-9H,1-7,11H2

InChIKey

YDHNWOMYDYLFNV-UHFFFAOYSA-N

Compound name

(3-aminopiperidin-1-yl)-cyclobutylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 182.1419 Da
Monoisotopic Mass: 0.3
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]+	183.14918	141.8
[M+Na]+	205.13112	144.0
[M-H]-	181.13462	145.3
[M+NH4]+	200.17572	152.9
[M+K]+	221.10506	145.7
[M+H-H2O]+	165.13916	129.0
[M+HCOO]-	227.14010	158.4
[M+CH3COO]-	241.15575	186.2
[M+Na-2H]-	203.11657	143.4
[M]+	182.14135	142.7
[M]-	182.14245	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe