CID 121229361

1357351-87-1

Structural Information

Molecular Formula
C14H22N2O5
SMILES
CCOC(=O)C1C2(CC(=O)N1)CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H22N2O5/c1-5-20-11(18)10-14(6-9(17)15-10)7-16(8-14)12(19)21-13(2,3)4/h10H,5-8H2,1-4H3,(H,15,17)
InChIKey
HVOJRYNWIYULON-UHFFFAOYSA-N
Compound name
2-O-tert-butyl 5-O-ethyl 7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

298.15286 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16014 170.1
[M+Na]+ 321.14208 174.0
[M-H]- 297.14558 171.3
[M+NH4]+ 316.18668 179.5
[M+K]+ 337.11602 176.1
[M+H-H2O]+ 281.15012 159.9
[M+HCOO]- 343.15106 182.7
[M+CH3COO]- 357.16671 200.4
[M+Na-2H]- 319.12753 169.8
[M]+ 298.15231 179.2
[M]- 298.15341 179.2
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