CID 138039586

Tert-butyl 3-formyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxylate

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)(C)OC(=O)N1CC2(CCC1C=O)CCOCC2
InChI
InChI=1S/C15H25NO4/c1-14(2,3)20-13(18)16-11-15(5-4-12(16)10-17)6-8-19-9-7-15/h10,12H,4-9,11H2,1-3H3
InChIKey
LJQZAVVDNTVIAQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-9-oxa-2-azaspiro[5.5]undecane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.185616 167.0
[M+Na]+ 306.167558 170.4
[M-H]- 282.171064 170.4
[M+NH4]+ 301.212163 182.2
[M+K]+ 322.141498 170.7
[M+H-H2O]+ 266.175600 160.3
[M+HCOO]- 328.176541 178.8
[M+CH3COO]- 342.192191 196.8
[M+Na-2H]- 304.153006 170.6
[M]+ 283.17779142 163.6
[M]- 283.17888858 163.6
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.