CID 129950622

Tert-butyl 2-oxo-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCOC2(C1)CC(=O)C2
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-4-5-16-12(8-13)6-9(14)7-12/h4-8H2,1-3H3
InChIKey
HAXMQLQEAARTBD-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxo-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

241.13141 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 150.2
[M+Na]+ 264.120628 154.6
[M-H]- 240.124134 154.5
[M+NH4]+ 259.165233 161.0
[M+K]+ 280.094568 158.6
[M+H-H2O]+ 224.128670 139.9
[M+HCOO]- 286.129611 164.3
[M+CH3COO]- 300.145261 192.2
[M+Na-2H]- 262.106076 155.5
[M]+ 241.13086142 158.3
[M]- 241.13195858 158.3
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

patents stripe