CID 57429706

512822-34-3

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1CC2CCCC(C1)C2=O
InChI
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-7-9-5-4-6-10(8-14)11(9)15/h9-10H,4-8H2,1-3H3
InChIKey
DMVQSZMTYAHSEC-UHFFFAOYSA-N
Compound name
tert-butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

239.15215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 155.3
[M+Na]+ 262.14137 164.3
[M+NH4]+ 257.18597 162.6
[M+K]+ 278.11531 159.7
[M-H]- 238.14487 154.3
[M+Na-2H]- 260.12682 156.2
[M]+ 239.15160 156.0
[M]- 239.15270 156.0
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