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

3
Patents

257.16272 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 157.8
[M+Na]+ 280.151938 161.0
[M-H]- 256.155444 160.5
[M+NH4]+ 275.196543 167.3
[M+K]+ 296.125878 164.5
[M+H-H2O]+ 240.159980 147.3
[M+HCOO]- 302.160921 169.8
[M+CH3COO]- 316.176571 193.5
[M+Na-2H]- 278.137386 162.0
[M]+ 257.16217142 165.1
[M]- 257.16326858 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

patents stripe