CID 56962131

Tert-butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC(=O)CO2
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-5-4-12(8-13)6-9(14)7-16-12/h4-8H2,1-3H3
InChIKey
PBIPOVUIKARFCM-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

241.13141 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 154.8
[M+Na]+ 264.12063 161.2
[M-H]- 240.12413 159.6
[M+NH4]+ 259.16523 175.6
[M+K]+ 280.09457 161.8
[M+H-H2O]+ 224.12867 150.6
[M+HCOO]- 286.12961 172.0
[M+CH3COO]- 300.14526 187.1
[M+Na-2H]- 262.10608 157.3
[M]+ 241.13086 154.6
[M]- 241.13196 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

literature stripe

Patent stripe

patents stripe