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]+ 240.15943 160.3
[M+Na]+ 262.14137 164.4
[M-H]- 238.14487 155.3
[M+NH4]+ 257.18597 183.1
[M+K]+ 278.11531 163.0
[M+H-H2O]+ 222.14941 155.6
[M+HCOO]- 284.15035 167.9
[M+CH3COO]- 298.16600 195.4
[M+Na-2H]- 260.12682 170.4
[M]+ 239.15160 163.3
[M]- 239.15270 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.