CID 116547984

2361643-90-3

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

COCC(=O)C1CCCNC1

InChI

InChI=1S/C8H15NO2/c1-11-6-8(10)7-3-2-4-9-5-7/h7,9H,2-6H2,1H3

InChIKey

JYGGHIRSYJBYFI-UHFFFAOYSA-N

Compound name

2-methoxy-1-piperidin-3-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.11028 Da
Monoisotopic Mass: -0.1
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]+	158.11756	135.6
[M+Na]+	180.09950	139.8
[M-H]-	156.10300	135.3
[M+NH4]+	175.14410	154.0
[M+K]+	196.07344	138.7
[M+H-H2O]+	140.10754	129.2
[M+HCOO]-	202.10848	152.9
[M+CH3COO]-	216.12413	173.4
[M+Na-2H]-	178.08495	139.5
[M]+	157.10973	130.9
[M]-	157.11083	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.