CID 57712307

Tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)C=O
InChI
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-10-4-5-11(14)7-9(6-10)8-15/h8-11H,4-7H2,1-3H3
InChIKey
XYJAVZBRKJTDTI-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
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 157.9
[M+Na]+ 262.141368 163.8
[M-H]- 238.144874 158.8
[M+NH4]+ 257.185973 178.0
[M+K]+ 278.115308 162.3
[M+H-H2O]+ 222.149410 152.8
[M+HCOO]- 284.150351 172.8
[M+CH3COO]- 298.166001 192.0
[M+Na-2H]- 260.126816 160.2
[M]+ 239.15160142 157.9
[M]- 239.15269858 157.9
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