CID 165908507

8-benzyl-3,8-diazabicyclo[4.3.1]decane dihydrochloride

Structural Information

Molecular Formula
C15H22N2
SMILES
C1CNCC2CC1CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C15H22N2/c1-2-4-13(5-3-1)10-17-11-14-6-7-16-9-15(8-14)12-17/h1-5,14-16H,6-12H2
InChIKey
DDEOUCBZFQATCD-UHFFFAOYSA-N
Compound name
8-benzyl-3,8-diazabicyclo[4.3.1]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1783 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.18558 153.7
[M+Na]+ 253.16752 156.3
[M-H]- 229.17102 155.3
[M+NH4]+ 248.21212 168.3
[M+K]+ 269.14146 154.7
[M+H-H2O]+ 213.17556 145.6
[M+HCOO]- 275.17650 165.9
[M+CH3COO]- 289.19215 162.4
[M+Na-2H]- 251.15297 158.7
[M]+ 230.17775 143.6
[M]- 230.17885 143.6
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.