CID 136574246

Tert-butyl 3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxylate

Structural Information

Molecular Formula
C15H27NO4
SMILES
CC(C)(C)OC(=O)N1CC2(CCC1CO)CCOCC2
InChI
InChI=1S/C15H27NO4/c1-14(2,3)20-13(18)16-11-15(5-4-12(16)10-17)6-8-19-9-7-15/h12,17H,4-11H2,1-3H3
InChIKey
XBRXYYPSKXHTGG-UHFFFAOYSA-N
Compound name
tert-butyl 3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.194 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.201276 169.2
[M+Na]+ 308.183218 171.9
[M-H]- 284.186724 171.2
[M+NH4]+ 303.227823 183.7
[M+K]+ 324.157158 171.8
[M+H-H2O]+ 268.191260 162.7
[M+HCOO]- 330.192201 179.2
[M+CH3COO]- 344.207851 195.2
[M+Na-2H]- 306.168666 172.3
[M]+ 285.19345142 164.7
[M]- 285.19454858 164.7
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.