CID 17896361

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

Structural Information

Molecular Formula

C₁₃H₁₅NO₂

SMILES

CC1=CC=CC=C1C(=O)N2CCC(=O)CC2

InChI

InChI=1S/C13H15NO2/c1-10-4-2-3-5-12(10)13(16)14-8-6-11(15)7-9-14/h2-5H,6-9H2,1H3

InChIKey

OXHVRXMYJFCTGL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 217.11028 Da
Monoisotopic Mass: 1.2
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]+	218.11756	149.4
[M+Na]+	240.09950	162.2
[M+NH4]+	235.14410	157.5
[M+K]+	256.07344	155.5
[M-H]-	216.10300	152.6
[M+Na-2H]-	238.08495	156.3
[M]+	217.10973	152.0
[M]-	217.11083	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe