CID 58562683

1-(4-oxocyclohexyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

C1CC(=O)N(C1)C2CCC(=O)CC2

InChI

InChI=1S/C10H15NO2/c12-9-5-3-8(4-6-9)11-7-1-2-10(11)13/h8H,1-7H2

InChIKey

LITOUEJAJQBLGI-UHFFFAOYSA-N

Compound name

1-(4-oxocyclohexyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 181.11028 Da
Monoisotopic Mass: 0.0
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]+	182.11756	142.0
[M+Na]+	204.09950	151.7
[M+NH4]+	199.14410	150.2
[M+K]+	220.07344	147.7
[M-H]-	180.10300	144.1
[M+Na-2H]-	202.08495	146.1
[M]+	181.10973	143.6
[M]-	181.11083	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe