CID 138039834

Tert-butyl 3-oxo-7-azaspiro[4.5]dec-1-ene-7-carboxylate

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CC(=O)C=C2
InChI
InChI=1S/C14H21NO3/c1-13(2,3)18-12(17)15-8-4-6-14(10-15)7-5-11(16)9-14/h5,7H,4,6,8-10H2,1-3H3
InChIKey
OQASDNWAOBMNEK-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxo-7-azaspiro[4.5]dec-3-ene-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 159.6
[M+Na]+ 274.14137 165.4
[M-H]- 250.14487 163.5
[M+NH4]+ 269.18597 179.6
[M+K]+ 290.11531 163.9
[M+H-H2O]+ 234.14941 153.9
[M+HCOO]- 296.15035 176.2
[M+CH3COO]- 310.16600 190.6
[M+Na-2H]- 272.12682 162.2
[M]+ 251.15160 157.4
[M]- 251.15270 157.4
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.