CID 22996994

3-methoxy-2-piperidinone

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

COC1CCCNC1=O

InChI

InChI=1S/C6H11NO2/c1-9-5-3-2-4-7-6(5)8/h5H,2-4H2,1H3,(H,7,8)

InChIKey

KCQXYISBJUBSAD-UHFFFAOYSA-N

Compound name

3-methoxypiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 129.07898 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]+	130.086256	125.8
[M+Na]+	152.068198	132.1
[M-H]-	128.071704	126.2
[M+NH4]+	147.112803	145.7
[M+K]+	168.042138	131.1
[M+H-H2O]+	112.076240	120.1
[M+HCOO]-	174.077181	144.8
[M+CH3COO]-	188.092831	167.6
[M+Na-2H]-	150.053646	131.4
[M]+	129.07843142	121.5
[M]-	129.07952858	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe