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]+ 284.18562 167.0
[M+Na]+ 306.16756 170.4
[M-H]- 282.17106 170.4
[M+NH4]+ 301.21216 182.2
[M+K]+ 322.14150 170.7
[M+H-H2O]+ 266.17560 160.3
[M+HCOO]- 328.17654 178.8
[M+CH3COO]- 342.19219 196.8
[M+Na-2H]- 304.15301 170.6
[M]+ 283.17779 163.6
[M]- 283.17889 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.