CID 24710264

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

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

COCCN1CCC(=O)CC1

InChI

InChI=1S/C8H15NO2/c1-11-7-6-9-4-2-8(10)3-5-9/h2-7H2,1H3

InChIKey

TZBGCFOBLIWBSM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 157.11028 Da
Monoisotopic Mass: -0.4
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]+	158.117556	134.0
[M+Na]+	180.099498	139.9
[M-H]-	156.103004	135.5
[M+NH4]+	175.144103	153.6
[M+K]+	196.073438	139.3
[M+H-H2O]+	140.107540	127.6
[M+HCOO]-	202.108481	153.9
[M+CH3COO]-	216.124131	176.3
[M+Na-2H]-	178.084946	139.1
[M]+	157.10973142	132.3
[M]-	157.11082858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe