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

66
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

literature stripe

Patent stripe

patents stripe