CID 71304662

Tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CC(=O)NC2
InChI
InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-6-4-5-13(9-15)7-10(16)14-8-13/h4-9H2,1-3H3,(H,14,16)
InChIKey
TXCCTNIYGSOUBI-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

254.16304 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17032 162.1
[M+Na]+ 277.15226 166.8
[M-H]- 253.15576 162.8
[M+NH4]+ 272.19686 179.7
[M+K]+ 293.12620 164.8
[M+H-H2O]+ 237.16030 155.8
[M+HCOO]- 299.16124 174.6
[M+CH3COO]- 313.17689 188.2
[M+Na-2H]- 275.13771 163.7
[M]+ 254.16249 156.7
[M]- 254.16359 156.7
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

patents stripe