CID 136574246

2173996-81-9

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]+ 286.20128 169.2
[M+Na]+ 308.18322 171.9
[M-H]- 284.18672 171.2
[M+NH4]+ 303.22782 183.7
[M+K]+ 324.15716 171.8
[M+H-H2O]+ 268.19126 162.7
[M+HCOO]- 330.19220 179.2
[M+CH3COO]- 344.20785 195.2
[M+Na-2H]- 306.16867 172.3
[M]+ 285.19345 164.7
[M]- 285.19455 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.