CID 16045513

3,7-dipropyl-3,7-diazabicyclo[3.3.1]nonane

Structural Information

Molecular Formula
C13H26N2
SMILES
CCCN1CC2CC(C1)CN(C2)CCC
InChI
InChI=1S/C13H26N2/c1-3-5-14-8-12-7-13(9-14)11-15(10-12)6-4-2/h12-13H,3-11H2,1-2H3
InChIKey
VYWAELGYEIUVKY-UHFFFAOYSA-N
Compound name
3,7-dipropyl-3,7-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

210.2096 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.21688 154.6
[M+Na]+ 233.19882 158.8
[M-H]- 209.20232 153.1
[M+NH4]+ 228.24342 172.6
[M+K]+ 249.17276 155.9
[M+H-H2O]+ 193.20686 146.9
[M+HCOO]- 255.20780 167.5
[M+CH3COO]- 269.22345 191.5
[M+Na-2H]- 231.18427 158.2
[M]+ 210.20905 151.2
[M]- 210.21015 151.2
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.