CID 56331

Brn 1454597

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CCCN1C(=O)CC2(C1=O)CCCC2

InChI

InChI=1S/C11H17NO2/c1-2-7-12-9(13)8-11(10(12)14)5-3-4-6-11/h2-8H2,1H3

InChIKey

VGYYCLCAFGFXBE-UHFFFAOYSA-N

Compound name

2-propyl-2-azaspiro[4.4]nonane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.12593 Da
Monoisotopic Mass: 1.5
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]+	196.13321	146.5
[M+Na]+	218.11515	155.1
[M+NH4]+	213.15975	155.8
[M+K]+	234.08909	151.1
[M-H]-	194.11865	147.2
[M+Na-2H]-	216.10060	150.3
[M]+	195.12538	147.7
[M]-	195.12648	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.