CID 44182345

Tert-butyl 2,6-diazaspiro[3.5]nonane-2-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCCNC2
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-12(9-14)5-4-6-13-7-12/h13H,4-9H2,1-3H3
InChIKey
ZEYUNZHFLQBWNJ-UHFFFAOYSA-N
Compound name
tert-butyl 2,8-diazaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

226.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe