CID 7330590

98998-32-4

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CNCC(=O)N1CCCCC1

InChI

InChI=1S/C8H16N2O/c1-9-7-8(11)10-5-3-2-4-6-10/h9H,2-7H2,1H3

InChIKey

PYBDYFQWBAYWHD-UHFFFAOYSA-N

Compound name

2-(methylamino)-1-piperidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 156.12627 Da
Monoisotopic Mass: 0.2
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]+	157.133546	136.0
[M+Na]+	179.115488	139.8
[M-H]-	155.118994	137.1
[M+NH4]+	174.160093	154.9
[M+K]+	195.089428	139.2
[M+H-H2O]+	139.123530	129.1
[M+HCOO]-	201.124471	155.6
[M+CH3COO]-	215.140121	178.1
[M+Na-2H]-	177.100936	140.7
[M]+	156.12572142	130.9
[M]-	156.12681858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe