CID 17922682

4-cyclohexylpyrrolidin-2-one

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

C1CCC(CC1)C2CC(=O)NC2

InChI

InChI=1S/C10H17NO/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,11,12)

InChIKey

PWSUQCRPENFXDF-UHFFFAOYSA-N

Compound name

4-cyclohexylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 167.13101 Da
Monoisotopic Mass: 2.2
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]+	168.13829	140.5
[M+Na]+	190.12023	149.7
[M+NH4]+	185.16483	149.2
[M+K]+	206.09417	145.3
[M-H]-	166.12373	142.7
[M+Na-2H]-	188.10568	144.8
[M]+	167.13046	142.0
[M]-	167.13156	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe