CID 137963805

Tert-butyl 6,8-diazaspiro[3.5]nonane-6-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC2(CCC2)CNC1
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-12(5-4-6-12)7-13-9-14/h13H,4-9H2,1-3H3
InChIKey
WFCACBJKZUWTQI-UHFFFAOYSA-N
Compound name
tert-butyl 6,8-diazaspiro[3.5]nonane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.