CID 118798350

Tert-butyl 4-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)C(=O)CCO2
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-6-5-12(8-13)9(14)4-7-16-12/h4-8H2,1-3H3
InChIKey
AQKOZWCHBLIVRA-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 154.8
[M+Na]+ 264.120628 161.2
[M-H]- 240.124134 159.6
[M+NH4]+ 259.165233 175.6
[M+K]+ 280.094568 161.8
[M+H-H2O]+ 224.128670 150.6
[M+HCOO]- 286.129611 172.0
[M+CH3COO]- 300.145261 187.1
[M+Na-2H]- 262.106076 157.3
[M]+ 241.13086142 154.6
[M]- 241.13195858 154.6
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.