CID 70700549

886766-31-0

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCNC2(C1)CCC2

InChI

InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-7-13-12(9-14)5-4-6-12/h13H,4-9H2,1-3H3

InChIKey

GBQBZVRVWHDCJI-UHFFFAOYSA-N

Compound name

tert-butyl 5,8-diazaspiro[3.5]nonane-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 226.16812 Da
Monoisotopic Mass: 1.2
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]+	227.17540	156.0
[M+Na]+	249.15734	159.1
[M-H]-	225.16084	156.5
[M+NH4]+	244.20194	166.6
[M+K]+	265.13128	160.6
[M+H-H2O]+	209.16538	144.7
[M+HCOO]-	271.16632	167.5
[M+CH3COO]-	285.18197	187.9
[M+Na-2H]-	247.14279	159.9
[M]+	226.16757	159.6
[M]-	226.16867	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe