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]+ 227.175396 156.0
[M+Na]+ 249.157338 159.1
[M-H]- 225.160844 156.5
[M+NH4]+ 244.201943 166.6
[M+K]+ 265.131278 160.6
[M+H-H2O]+ 209.165380 144.7
[M+HCOO]- 271.166321 167.5
[M+CH3COO]- 285.181971 187.9
[M+Na-2H]- 247.142786 159.9
[M]+ 226.16757142 159.6
[M]- 226.16866858 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.