CID 45792700

Tert-butyl 3,10-diazabicyclo[4.3.1]decane-3-carboxylate

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2CCCC(C1)N2
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-7-10-5-4-6-11(9-15)14-10/h10-11,14H,4-9H2,1-3H3
InChIKey
JZYLWFDGGQTJND-UHFFFAOYSA-N
Compound name
tert-butyl 3,10-diazabicyclo[4.3.1]decane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

240.18378 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 155.1
[M+Na]+ 263.17300 157.6
[M-H]- 239.17650 154.1
[M+NH4]+ 258.21760 170.0
[M+K]+ 279.14694 159.2
[M+H-H2O]+ 223.18104 148.6
[M+HCOO]- 285.18198 164.8
[M+CH3COO]- 299.19763 191.4
[M+Na-2H]- 261.15845 158.9
[M]+ 240.18323 147.8
[M]- 240.18433 147.8
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