CID 4202451

72544-16-2

Structural Information

Molecular Formula

SMILES

CC(C)CN1CCC(=O)CC1

InChI

InChI=1S/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3

InChIKey

KMTASGXMTBUSSP-UHFFFAOYSA-N

Compound name

1-(2-methylpropyl)piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 311
Patents: 155.13101 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]+	156.138286	135.7
[M+Na]+	178.120228	140.9
[M-H]-	154.123734	137.1
[M+NH4]+	173.164833	155.3
[M+K]+	194.094168	140.1
[M+H-H2O]+	138.128270	129.4
[M+HCOO]-	200.129211	154.0
[M+CH3COO]-	214.144861	178.2
[M+Na-2H]-	176.105676	139.0
[M]+	155.13046142	132.3
[M]-	155.13155858	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe