CID 165603861

2731007-06-8

Structural Information

Molecular Formula
C13H19NO5
SMILES
CCOC(=O)C1C(=O)C2(N1C(=O)OC(C)(C)C)CC2
InChI
InChI=1S/C13H19NO5/c1-5-18-10(16)8-9(15)13(6-7-13)14(8)11(17)19-12(2,3)4/h8H,5-7H2,1-4H3
InChIKey
CJNNZSGRSNTQRH-UHFFFAOYSA-N
Compound name
4-O-tert-butyl 5-O-ethyl 6-oxo-4-azaspiro[2.3]hexane-4,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1263 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13358 167.3
[M+Na]+ 292.11552 172.8
[M+NH4]+ 287.16012 170.2
[M+K]+ 308.08946 171.5
[M-H]- 268.11902 169.5
[M+Na-2H]- 290.10097 169.6
[M]+ 269.12575 168.5
[M]- 269.12685 168.5
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.