CID 168975610

Tert-butyl 5-methyl-6-oxo-2-azaspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC1C(=O)CC12CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H19NO3/c1-8-9(14)5-12(8)6-13(7-12)10(15)16-11(2,3)4/h8H,5-7H2,1-4H3
InChIKey
OIPIEGIBVGUYAM-UHFFFAOYSA-N
Compound name
tert-butyl 7-methyl-6-oxo-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

225.13649 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 146.9
[M+Na]+ 248.125708 151.6
[M-H]- 224.129214 151.2
[M+NH4]+ 243.170313 153.3
[M+K]+ 264.099648 156.5
[M+H-H2O]+ 208.133750 133.9
[M+HCOO]- 270.134691 161.6
[M+CH3COO]- 284.150341 201.0
[M+Na-2H]- 246.111156 150.1
[M]+ 225.13594142 164.4
[M]- 225.13703858 164.4
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

patents stripe