CID 177802003

Tert-butyl 8-oxo-2-azaspiro[4.4]non-6-ene-2-carboxylate

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC(=O)C=C2
InChI
InChI=1S/C13H19NO3/c1-12(2,3)17-11(16)14-7-6-13(9-14)5-4-10(15)8-13/h4-5H,6-9H2,1-3H3
InChIKey
QTOJFVVKKVRPBC-UHFFFAOYSA-N
Compound name
tert-butyl 7-oxo-2-azaspiro[4.4]non-8-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 156.4
[M+Na]+ 260.12571 163.4
[M-H]- 236.12921 160.9
[M+NH4]+ 255.17031 178.7
[M+K]+ 276.09965 162.1
[M+H-H2O]+ 220.13375 151.6
[M+HCOO]- 282.13469 175.4
[M+CH3COO]- 296.15034 187.5
[M+Na-2H]- 258.11116 158.2
[M]+ 237.13594 155.9
[M]- 237.13704 155.9
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.