CID 131598599

Tert-butyl 7-oxo-4-azaspiro[2.4]heptane-4-carboxylate

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C12CC2
InChI
InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-7-4-8(13)11(12)5-6-11/h4-7H2,1-3H3
InChIKey
KIBGZOYHBVGDOO-UHFFFAOYSA-N
Compound name
tert-butyl 7-oxo-4-azaspiro[2.4]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 152.0
[M+Na]+ 234.110068 161.4
[M-H]- 210.113574 157.4
[M+NH4]+ 229.154673 169.0
[M+K]+ 250.084008 159.6
[M+H-H2O]+ 194.118110 147.5
[M+HCOO]- 256.119051 170.5
[M+CH3COO]- 270.134701 186.9
[M+Na-2H]- 232.095516 155.8
[M]+ 211.12030142 155.3
[M]- 211.12139858 155.3
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.