CID 84075447

2361634-43-5

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

COC(=O)C1CC2(C1)CNC2

InChI

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

InChIKey

SXHJDASDLOLCPA-UHFFFAOYSA-N

Compound name

methyl 2-azaspiro[3.3]heptane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 155.09464 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]+	156.10192	139.7
[M+Na]+	178.08386	140.1
[M+NH4]+	173.12846	140.5
[M+K]+	194.05780	138.0
[M-H]-	154.08736	134.8
[M+Na-2H]-	176.06931	139.6
[M]+	155.09409	136.0
[M]-	155.09519	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe