CID 137949354

Tert-butyl 5-oxo-2,6-diazaspiro[3.5]nonane-2-carboxylate

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCCNC2=O
InChI
InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-7-12(8-14)5-4-6-13-9(12)15/h4-8H2,1-3H3,(H,13,15)
InChIKey
KIPXSWOSXXIKHJ-UHFFFAOYSA-N
Compound name
tert-butyl 5-oxo-2,6-diazaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15468 157.3
[M+Na]+ 263.13662 161.3
[M-H]- 239.14012 158.1
[M+NH4]+ 258.18122 167.4
[M+K]+ 279.11056 162.8
[M+H-H2O]+ 223.14466 146.2
[M+HCOO]- 285.14560 169.1
[M+CH3COO]- 299.16125 190.3
[M+Na-2H]- 261.12207 160.7
[M]+ 240.14685 162.0
[M]- 240.14795 162.0
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.