CID 82380583

Tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate

Structural Information

Molecular Formula
C13H24N2O3
SMILES
CC(C)(C)OC(=O)N1CCOCC12CCNCC2
InChI
InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-8-9-17-10-13(15)4-6-14-7-5-13/h14H,4-10H2,1-3H3
InChIKey
LNGPEAVAOLYRPC-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

256.17868 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.185956 162.9
[M+Na]+ 279.167898 165.6
[M-H]- 255.171404 163.4
[M+NH4]+ 274.212503 176.9
[M+K]+ 295.141838 165.2
[M+H-H2O]+ 239.175940 155.5
[M+HCOO]- 301.176881 172.1
[M+CH3COO]- 315.192531 188.6
[M+Na-2H]- 277.153346 167.2
[M]+ 256.17813142 156.2
[M]- 256.17922858 156.2
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