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]+ 257.149576 160.8
[M+Na]+ 279.131518 165.4
[M-H]- 255.135024 161.0
[M+NH4]+ 274.176123 171.5
[M+K]+ 295.105458 166.5
[M+H-H2O]+ 239.139560 150.9
[M+HCOO]- 301.140501 173.3
[M+CH3COO]- 315.156151 190.8
[M+Na-2H]- 277.116966 161.8
[M]+ 256.14175142 167.4
[M]- 256.14284858 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.