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]+ 231.185576 153.7
[M+Na]+ 253.167518 156.3
[M-H]- 229.171024 155.3
[M+NH4]+ 248.212123 168.3
[M+K]+ 269.141458 154.7
[M+H-H2O]+ 213.175560 145.6
[M+HCOO]- 275.176501 165.9
[M+CH3COO]- 289.192151 162.4
[M+Na-2H]- 251.152966 158.7
[M]+ 230.17775142 143.6
[M]- 230.17884858 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.