CID 13670667

2361644-21-3

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

C1CCN(C1)C2CCC(=O)CC2

InChI

InChI=1S/C10H17NO/c12-10-5-3-9(4-6-10)11-7-1-2-8-11/h9H,1-8H2

InChIKey

RDGIABKZGSKWCC-UHFFFAOYSA-N

Compound name

4-pyrrolidin-1-ylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 167.13101 Da
Monoisotopic Mass: 1.0
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]+	168.13829	140.1
[M+Na]+	190.12023	150.0
[M+NH4]+	185.16483	149.2
[M+K]+	206.09417	145.2
[M-H]-	166.12373	142.9
[M+Na-2H]-	188.10568	145.1
[M]+	167.13046	142.0
[M]-	167.13156	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe