CID 18507052

280761-97-9

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1C2CC(=O)CC1COC2
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-8-4-10(14)5-9(13)7-16-6-8/h8-9H,4-7H2,1-3H3
InChIKey
CQLVVTNYEYTHMM-UHFFFAOYSA-N
Compound name
tert-butyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

241.13141 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 153.9
[M+Na]+ 264.12063 162.9
[M+NH4]+ 259.16523 160.6
[M+K]+ 280.09457 159.5
[M-H]- 240.12413 153.7
[M+Na-2H]- 262.10608 154.1
[M]+ 241.13086 154.8
[M]- 241.13196 154.8
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