CID 155970391

2639408-51-6

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)N1CC2(C1CO)CCOCC2
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-9-13(10(14)8-15)4-6-17-7-5-13/h10,15H,4-9H2,1-3H3
InChIKey
XNUDDNCVYLKKSV-UHFFFAOYSA-N
Compound name
tert-butyl 3-(hydroxymethyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.16272 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 157.8
[M+Na]+ 280.15194 161.0
[M-H]- 256.15544 160.5
[M+NH4]+ 275.19654 167.3
[M+K]+ 296.12588 164.5
[M+H-H2O]+ 240.15998 147.3
[M+HCOO]- 302.16092 169.8
[M+CH3COO]- 316.17657 193.5
[M+Na-2H]- 278.13739 162.0
[M]+ 257.16217 165.1
[M]- 257.16327 165.1
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.