CID 3016453

1-(2-methylbutyryl)piperidine

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

CCC(C)C(=O)N1CCCCC1

InChI

InChI=1S/C10H19NO/c1-3-9(2)10(12)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3

InChIKey

DLBXFSLJOBEJOJ-UHFFFAOYSA-N

Compound name

2-methyl-1-piperidin-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 169.14667 Da
Monoisotopic Mass: 2.0
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]+	170.153946	141.2
[M+Na]+	192.135888	144.9
[M-H]-	168.139394	142.2
[M+NH4]+	187.180493	160.0
[M+K]+	208.109828	144.3
[M+H-H2O]+	152.143930	134.6
[M+HCOO]-	214.144871	158.2
[M+CH3COO]-	228.160521	180.3
[M+Na-2H]-	190.121336	143.4
[M]+	169.14612142	137.0
[M]-	169.14721858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe