CID 155893799

2012948-41-1

Structural Information

Molecular Formula
C13H19NO6
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(C(=O)CO2)C(=O)OC
InChI
InChI=1S/C13H19NO6/c1-12(2,3)20-11(17)14-6-13(7-14)9(10(16)18-4)8(15)5-19-13/h9H,5-7H2,1-4H3
InChIKey
WGCRNFFRCIDMLP-UHFFFAOYSA-N
Compound name
2-O-tert-butyl 8-O-methyl 7-oxo-5-oxa-2-azaspiro[3.4]octane-2,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.12125 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12853 158.5
[M+Na]+ 308.11047 163.2
[M-H]- 284.11397 163.3
[M+NH4]+ 303.15507 169.2
[M+K]+ 324.08441 167.9
[M+H-H2O]+ 268.11851 149.5
[M+HCOO]- 330.11945 173.7
[M+CH3COO]- 344.13510 199.5
[M+Na-2H]- 306.09592 160.8
[M]+ 285.12070 170.7
[M]- 285.12180 170.7
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.