CID 67991811

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

Structural Information

Molecular Formula
C13H24N2O3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)COCCN2
InChI
InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-13(5-8-15)10-17-9-6-14-13/h14H,4-10H2,1-3H3
InChIKey
JDCXGSPMQUVCTJ-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

256.17868 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.18596 162.9
[M+Na]+ 279.16790 165.6
[M-H]- 255.17140 163.4
[M+NH4]+ 274.21250 176.9
[M+K]+ 295.14184 165.2
[M+H-H2O]+ 239.17594 155.5
[M+HCOO]- 301.17688 172.1
[M+CH3COO]- 315.19253 188.6
[M+Na-2H]- 277.15335 167.2
[M]+ 256.17813 156.2
[M]- 256.17923 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