CID 122514413

2361645-26-1

Structural Information

Molecular Formula

C₁₂H₂₁NO₂

SMILES

COC(=O)C1CCC2(CC1)CCNCC2

InChI

InChI=1S/C12H21NO2/c1-15-11(14)10-2-4-12(5-3-10)6-8-13-9-7-12/h10,13H,2-9H2,1H3

InChIKey

MLBIAXNHPAIPKK-UHFFFAOYSA-N

Compound name

methyl 3-azaspiro[5.5]undecane-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 211.15723 Da
Monoisotopic Mass: 1.8
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]+	212.16451	151.8
[M+Na]+	234.14645	154.2
[M-H]-	210.14995	152.9
[M+NH4]+	229.19105	170.0
[M+K]+	250.12039	152.1
[M+H-H2O]+	194.15449	144.8
[M+HCOO]-	256.15543	164.9
[M+CH3COO]-	270.17108	181.5
[M+Na-2H]-	232.13190	154.7
[M]+	211.15668	142.7
[M]-	211.15778	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe