CID 42614573

885268-47-3

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCCC12CCNC2

InChI

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

InChIKey

LZBANXJWOBNBLH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
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	154.9
[M+Na]+	249.15734	161.0
[M+NH4]+	244.20194	162.7
[M+K]+	265.13128	159.3
[M-H]-	225.16084	153.5
[M+Na-2H]-	247.14279	157.7
[M]+	226.16757	155.0
[M]-	226.16867	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe