CID 16036407

3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane dihydrochloride

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1C2CN(CC(O2)CN1)CC3=CC=CC=C3
InChI
InChI=1S/C13H18N2O/c1-2-4-11(5-3-1)8-15-9-12-6-14-7-13(10-15)16-12/h1-5,12-14H,6-10H2
InChIKey
SLFJZMKCBPIOSE-UHFFFAOYSA-N
Compound name
3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

218.1419 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 151.4
[M+Na]+ 241.13112 164.2
[M+NH4]+ 236.17572 160.7
[M+K]+ 257.10506 156.7
[M-H]- 217.13462 155.6
[M+Na-2H]- 239.11657 156.5
[M]+ 218.14135 154.4
[M]- 218.14245 154.4
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