CID 42717

3-butyl-7-methylbispidine hydrobromide

Structural Information

Molecular Formula
C12H24N2
SMILES
CCCCN1CC2CC(C1)CN(C2)C
InChI
InChI=1S/C12H24N2/c1-3-4-5-14-9-11-6-12(10-14)8-13(2)7-11/h11-12H,3-10H2,1-2H3
InChIKey
ONJKGYOEKVVRLR-UHFFFAOYSA-N
Compound name
3-butyl-7-methyl-3,7-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.19395 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.20123 149.4
[M+Na]+ 219.18317 160.4
[M+NH4]+ 214.22777 158.6
[M+K]+ 235.15711 152.6
[M-H]- 195.18667 150.5
[M+Na-2H]- 217.16862 151.8
[M]+ 196.19340 151.1
[M]- 196.19450 151.1
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.