CID 21076135

56415-12-4

Structural Information

Molecular Formula

C₁₀H₂₀N₂O

SMILES

CC(C)C(C(=O)N1CCCCC1)N

InChI

InChI=1S/C10H20N2O/c1-8(2)9(11)10(13)12-6-4-3-5-7-12/h8-9H,3-7,11H2,1-2H3

InChIKey

SZPYGVGYDZCXEX-UHFFFAOYSA-N

Compound name

2-amino-3-methyl-1-piperidin-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 184.15756 Da
Monoisotopic Mass: 1.0
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]+	185.16484	146.0
[M+Na]+	207.14678	148.6
[M-H]-	183.15028	146.5
[M+NH4]+	202.19138	163.5
[M+K]+	223.12072	148.1
[M+H-H2O]+	167.15482	139.1
[M+HCOO]-	229.15576	162.4
[M+CH3COO]-	243.17141	185.4
[M+Na-2H]-	205.13223	146.2
[M]+	184.15701	139.5
[M]-	184.15811	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe