CID 145867252

2375259-67-7

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1CC2(CCC1CC2)C=O
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-13(9-15)6-4-10(14)5-7-13/h9-10H,4-8H2,1-3H3
InChIKey
NTVYKWDMZIOIGT-UHFFFAOYSA-N
Compound name
tert-butyl 4-formyl-2-azabicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 160.3
[M+Na]+ 262.141368 164.4
[M-H]- 238.144874 155.3
[M+NH4]+ 257.185973 183.1
[M+K]+ 278.115308 163.0
[M+H-H2O]+ 222.149410 155.6
[M+HCOO]- 284.150351 167.9
[M+CH3COO]- 298.166001 195.4
[M+Na-2H]- 260.126816 170.4
[M]+ 239.15160142 163.3
[M]- 239.15269858 163.3
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

No patent data available for this compound.