CID 71305884

Tert-butyl 5-(hydroxymethyl)-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2CO
InChI
InChI=1S/C12H20N2O4/c1-11(2,3)18-10(17)14-6-12(7-14)4-9(16)13-8(12)5-15/h8,15H,4-7H2,1-3H3,(H,13,16)
InChIKey
MDXFMIQUBXXNON-UHFFFAOYSA-N
Compound name
tert-butyl 5-(hydroxymethyl)-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1423 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 160.8
[M+Na]+ 279.13152 165.4
[M-H]- 255.13502 161.0
[M+NH4]+ 274.17612 171.5
[M+K]+ 295.10546 166.5
[M+H-H2O]+ 239.13956 150.9
[M+HCOO]- 301.14050 173.3
[M+CH3COO]- 315.15615 190.8
[M+Na-2H]- 277.11697 161.8
[M]+ 256.14175 167.4
[M]- 256.14285 167.4
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.