CID 67392026

454695-20-6

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CC2COCC(C1)C2=O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-4-8-6-16-7-9(5-13)10(8)14/h8-9H,4-7H2,1-3H3
InChIKey
OXYRVQNWGGZUFS-UHFFFAOYSA-N
Compound name
tert-butyl 9-oxo-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
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 154.0
[M+Na]+ 264.12063 159.4
[M-H]- 240.12413 155.4
[M+NH4]+ 259.16523 170.7
[M+K]+ 280.09457 159.8
[M+H-H2O]+ 224.12867 148.2
[M+HCOO]- 286.12961 166.4
[M+CH3COO]- 300.14526 191.8
[M+Na-2H]- 262.10608 159.4
[M]+ 241.13086 153.6
[M]- 241.13196 153.6
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

patents stripe