CID 22291199

646055-63-2

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC2(C1)CCCN2

InChI

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

InChIKey

JMCDKYJLNLUCRX-UHFFFAOYSA-N

Compound name

tert-butyl 1,7-diazaspiro[4.4]nonane-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
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	157.5
[M+Na]+	249.15734	162.4
[M-H]-	225.16084	158.6
[M+NH4]+	244.20194	178.0
[M+K]+	265.13128	160.9
[M+H-H2O]+	209.16538	151.5
[M+HCOO]-	271.16632	172.2
[M+CH3COO]-	285.18197	182.8
[M+Na-2H]-	247.14279	158.5
[M]+	226.16757	152.8
[M]-	226.16867	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe