CID 31642

1-(2-propylvaleryl)azetidine

Structural Information

Molecular Formula

C₁₁H₂₁NO

SMILES

CCCC(CCC)C(=O)N1CCC1

InChI

InChI=1S/C11H21NO/c1-3-6-10(7-4-2)11(13)12-8-5-9-12/h10H,3-9H2,1-2H3

InChIKey

VOCVVBAVUYEGDL-UHFFFAOYSA-N

Compound name

1-(azetidin-1-yl)-2-propylpentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.16231 Da
Monoisotopic Mass: 2.7
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]+	184.169586	147.0
[M+Na]+	206.151528	150.4
[M-H]-	182.155034	148.2
[M+NH4]+	201.196133	159.0
[M+K]+	222.125468	152.5
[M+H-H2O]+	166.159570	135.4
[M+HCOO]-	228.160511	164.6
[M+CH3COO]-	242.176161	188.2
[M+Na-2H]-	204.136976	148.5
[M]+	183.16176142	155.7
[M]-	183.16285858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.