CID 139015125

2344681-02-1

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

COC(=O)C1CCNC12CC2

InChI

InChI=1S/C8H13NO2/c1-11-7(10)6-2-5-9-8(6)3-4-8/h6,9H,2-5H2,1H3

InChIKey

HTXBOHBBMHWEQX-UHFFFAOYSA-N

Compound name

methyl 4-azaspiro[2.4]heptane-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 155.09464 Da
Monoisotopic Mass: 0.2
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]+	156.10192	137.9
[M+Na]+	178.08386	148.3
[M+NH4]+	173.12846	147.7
[M+K]+	194.05780	144.8
[M-H]-	154.08736	145.2
[M+Na-2H]-	176.06931	145.2
[M]+	155.09409	142.4
[M]-	155.09519	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.