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

30
Patents

239.15215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 156.2
[M+Na]+ 262.141368 161.2
[M-H]- 238.144874 156.8
[M+NH4]+ 257.185973 174.3
[M+K]+ 278.115308 159.8
[M+H-H2O]+ 222.149410 150.5
[M+HCOO]- 284.150351 168.9
[M+CH3COO]- 298.166001 192.5
[M+Na-2H]- 260.126816 160.0
[M]+ 239.15160142 154.1
[M]- 239.15269858 154.1
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