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: 55
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]+	168.138286	139.0
[M+Na]+	190.120228	143.2
[M-H]-	166.123734	143.0
[M+NH4]+	185.164833	159.3
[M+K]+	206.094168	141.4
[M+H-H2O]+	150.128270	131.8
[M+HCOO]-	212.129211	157.2
[M+CH3COO]-	226.144861	176.7
[M+Na-2H]-	188.105676	140.7
[M]+	167.13046142	131.7
[M]-	167.13155858	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe