CID 2836717

Brn 5344944

Structural Information

Molecular Formula

C₁₄H₂₁NO₄

SMILES

C1CCC2(CC1)C(CC(=O)O2)C(=O)N3CCOCC3

InChI

InChI=1S/C14H21NO4/c16-12-10-11(13(17)15-6-8-18-9-7-15)14(19-12)4-2-1-3-5-14/h11H,1-10H2

InChIKey

XSVOGFYKOGCGOL-UHFFFAOYSA-N

Compound name

4-(morpholine-4-carbonyl)-1-oxaspiro[4.5]decan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 267.14706 Da
Monoisotopic Mass: 0.5
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]+	268.15434	162.2
[M+Na]+	290.13628	164.7
[M-H]-	266.13978	168.9
[M+NH4]+	285.18088	177.5
[M+K]+	306.11022	165.2
[M+H-H2O]+	250.14432	154.8
[M+HCOO]-	312.14526	174.1
[M+CH3COO]-	326.16091	191.7
[M+Na-2H]-	288.12173	163.2
[M]+	267.14651	154.8
[M]-	267.14761	154.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.