CID 373036

Nsc648869

Structural Information

Molecular Formula
C15H24N2O4
SMILES
CC1(CN(C2N1C(=O)C23CCCO3)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C15H24N2O4/c1-13(2,3)21-12(19)16-9-14(4,5)17-10(16)15(11(17)18)7-6-8-20-15/h10H,6-9H2,1-5H3
InChIKey
UBFJSDIPJNHIMZ-UHFFFAOYSA-N
Compound name
tert-butyl 2,2-dimethyl-7-oxospiro[1,4-diazabicyclo[3.2.0]heptane-6,2'-oxolane]-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1736 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18088 166.4
[M+Na]+ 319.16282 172.6
[M-H]- 295.16632 171.1
[M+NH4]+ 314.20742 180.5
[M+K]+ 335.13676 175.0
[M+H-H2O]+ 279.17086 158.9
[M+HCOO]- 341.17180 179.1
[M+CH3COO]- 355.18745 203.5
[M+Na-2H]- 317.14827 168.2
[M]+ 296.17305 177.2
[M]- 296.17415 177.2
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

No patent data available for this compound.