CID 137963738

2225142-38-9

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1COC2(CNC2)CO1

InChI

InChI=1S/C6H11NO2/c1-2-9-6(5-8-1)3-7-4-6/h7H,1-5H2

InChIKey

SOASSHDMEVHZRI-UHFFFAOYSA-N

Compound name

5,8-dioxa-2-azaspiro[3.5]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 129.07898 Da
Monoisotopic Mass: -1.1
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]+	130.08626	124.0
[M+Na]+	152.06820	130.2
[M+NH4]+	147.11280	130.1
[M+K]+	168.04214	126.1
[M-H]-	128.07170	125.3
[M+Na-2H]-	150.05365	127.6
[M]+	129.07843	124.1
[M]-	129.07953	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe