CID 147641383

1099570-33-8

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1CC2CCC1C(C2)C=O
InChI
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-7-9-4-5-11(14)10(6-9)8-15/h8-11H,4-7H2,1-3H3
InChIKey
GHRFQWRATSDVQU-UHFFFAOYSA-N
Compound name
tert-butyl 6-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

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 159.5
[M+Na]+ 262.14137 163.3
[M-H]- 238.14487 154.5
[M+NH4]+ 257.18597 180.5
[M+K]+ 278.11531 162.0
[M+H-H2O]+ 222.14941 154.9
[M+HCOO]- 284.15035 167.1
[M+CH3COO]- 298.16600 197.1
[M+Na-2H]- 260.12682 167.9
[M]+ 239.15160 162.5
[M]- 239.15270 162.5
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.