CID 54758969

1272412-68-6

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CCCC2(C1)CCO2

InChI

InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)13-7-4-5-12(9-13)6-8-15-12/h4-9H2,1-3H3

InChIKey

LCPKAAHDEZYAQL-UHFFFAOYSA-N

Compound name

tert-butyl 1-oxa-8-azaspiro[3.5]nonane-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 227.15215 Da
Monoisotopic Mass: 1.5
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]+	228.159426	149.3
[M+Na]+	250.141368	152.7
[M-H]-	226.144874	153.3
[M+NH4]+	245.185973	160.6
[M+K]+	266.115308	156.7
[M+H-H2O]+	210.149410	138.8
[M+HCOO]-	272.150351	163.0
[M+CH3COO]-	286.166001	189.8
[M+Na-2H]-	248.126816	155.0
[M]+	227.15160142	156.2
[M]-	227.15269858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe