CID 13568455

21098-11-3

Structural Information

Molecular Formula

C₁₃H₂₀ClNO₂

SMILES

C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCCl

InChI

InChI=1S/C13H20ClNO2/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13/h1-10H2

InChIKey

BCNBRBQCDHLCBD-UHFFFAOYSA-N

Compound name

8-(4-chlorobutyl)-8-azaspiro[4.5]decane-7,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 257.11826 Da
Monoisotopic Mass: 3.0
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]+	258.125536	160.1
[M+Na]+	280.107478	166.6
[M-H]-	256.110984	163.2
[M+NH4]+	275.152083	180.5
[M+K]+	296.081418	161.9
[M+H-H2O]+	240.115520	154.1
[M+HCOO]-	302.116461	173.1
[M+CH3COO]-	316.132111	191.6
[M+Na-2H]-	278.092926	160.8
[M]+	257.11771142	157.9
[M]-	257.11880858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe