CID 138991520

2309444-73-1

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

COC(=O)CC1CNCC2(O1)CCC2

InChI

InChI=1S/C10H17NO3/c1-13-9(12)5-8-6-11-7-10(14-8)3-2-4-10/h8,11H,2-7H2,1H3

InChIKey

DUFSQEXDTHQXPC-UHFFFAOYSA-N

Compound name

methyl 2-(5-oxa-8-azaspiro[3.5]nonan-6-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.12085 Da
Monoisotopic Mass: 0.0
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]+	200.128126	141.1
[M+Na]+	222.110068	144.4
[M-H]-	198.113574	143.7
[M+NH4]+	217.154673	152.4
[M+K]+	238.084008	147.5
[M+H-H2O]+	182.118110	130.2
[M+HCOO]-	244.119051	155.5
[M+CH3COO]-	258.134701	182.4
[M+Na-2H]-	220.095516	146.4
[M]+	199.12030142	146.1
[M]-	199.12139858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.