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]+ 241.191056 155.1
[M+Na]+ 263.172998 157.6
[M-H]- 239.176504 154.1
[M+NH4]+ 258.217603 170.0
[M+K]+ 279.146938 159.2
[M+H-H2O]+ 223.181040 148.6
[M+HCOO]- 285.181981 164.8
[M+CH3COO]- 299.197631 191.4
[M+Na-2H]- 261.158446 158.9
[M]+ 240.18323142 147.8
[M]- 240.18432858 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