CID 47337

3,7-dibutyl-3,7-diazabicyclo(3.3.1)nonane hydrochloride

Structural Information

Molecular Formula
C15H30N2
SMILES
CCCCN1CC2CC(C1)CN(C2)CCCC
InChI
InChI=1S/C15H30N2/c1-3-5-7-16-10-14-9-15(11-16)13-17(12-14)8-6-4-2/h14-15H,3-13H2,1-2H3
InChIKey
QEZOCSVNNUPJPG-UHFFFAOYSA-N
Compound name
3,7-dibutyl-3,7-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.2409 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.24818 163.7
[M+Na]+ 261.23012 166.9
[M-H]- 237.23362 161.7
[M+NH4]+ 256.27472 180.4
[M+K]+ 277.20406 163.5
[M+H-H2O]+ 221.23816 155.5
[M+HCOO]- 283.23910 175.8
[M+CH3COO]- 297.25475 197.5
[M+Na-2H]- 259.21557 166.1
[M]+ 238.24035 160.9
[M]- 238.24145 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe