CID 137942578

2168794-27-0

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC2(CCC1CC2)CN
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-13(8-14)6-4-10(15)5-7-13/h10H,4-9,14H2,1-3H3
InChIKey
BZMYCGMSOPRMNR-UHFFFAOYSA-N
Compound name
tert-butyl 4-(aminomethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 162.7
[M+Na]+ 263.17300 165.8
[M-H]- 239.17650 156.9
[M+NH4]+ 258.21760 185.0
[M+K]+ 279.14694 164.3
[M+H-H2O]+ 223.18104 157.9
[M+HCOO]- 285.18198 170.3
[M+CH3COO]- 299.19763 198.4
[M+Na-2H]- 261.15845 172.0
[M]+ 240.18323 163.3
[M]- 240.18433 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.