CID 82386804

1251003-79-8

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCC2(C1)COCCN2

InChI

InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-6-4-12(8-14)9-16-7-5-13-12/h13H,4-9H2,1-3H3

InChIKey

CLQOBQMWTRTELS-UHFFFAOYSA-N

Compound name

tert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 242.16304 Da
Monoisotopic Mass: 0.3
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]+	243.17032	158.4
[M+Na]+	265.15226	162.4
[M-H]-	241.15576	159.5
[M+NH4]+	260.19686	175.0
[M+K]+	281.12620	162.2
[M+H-H2O]+	225.16030	152.0
[M+HCOO]-	287.16124	170.2
[M+CH3COO]-	301.17689	185.0
[M+Na-2H]-	263.13771	161.8
[M]+	242.16249	153.5
[M]-	242.16359	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe