CID 131505923

2203717-15-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

COC(=O)C1(CC12CCOCC2)CN

InChI

InChI=1S/C10H17NO3/c1-13-8(12)10(7-11)6-9(10)2-4-14-5-3-9/h2-7,11H2,1H3

InChIKey

UMNVCCXTOBIORG-UHFFFAOYSA-N

Compound name

methyl 2-(aminomethyl)-6-oxaspiro[2.5]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.12085 Da
Monoisotopic Mass: -0.4
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	145.3
[M+Na]+	222.110068	152.7
[M-H]-	198.113574	151.9
[M+NH4]+	217.154673	161.9
[M+K]+	238.084008	153.8
[M+H-H2O]+	182.118110	140.8
[M+HCOO]-	244.119051	163.9
[M+CH3COO]-	258.134701	186.4
[M+Na-2H]-	220.095516	152.3
[M]+	199.12030142	146.3
[M]-	199.12139858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.