CID 43431234

Tert-butyl 3,9-diazabicyclo[3.3.2]decane-9-carboxylate

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CCCC1CNC2
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-9-10-5-4-6-11(15)8-14-7-10/h10-11,14H,4-9H2,1-3H3
InChIKey
SEBKQWOUTPGSCS-UHFFFAOYSA-N
Compound name
tert-butyl 3,9-diazabicyclo[3.3.2]decane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

240.18378 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 157.3
[M+Na]+ 263.17300 162.1
[M-H]- 239.17650 158.2
[M+NH4]+ 258.21760 171.3
[M+K]+ 279.14694 163.1
[M+H-H2O]+ 223.18104 152.9
[M+HCOO]- 285.18198 166.5
[M+CH3COO]- 299.19763 200.9
[M+Na-2H]- 261.15845 161.3
[M]+ 240.18323 150.9
[M]- 240.18433 150.9
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