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 150.1
[M+Na]+ 219.18317 154.7
[M-H]- 195.18667 148.8
[M+NH4]+ 214.22777 168.6
[M+K]+ 235.15711 152.0
[M+H-H2O]+ 179.19121 142.5
[M+HCOO]- 241.19215 163.3
[M+CH3COO]- 255.20780 188.5
[M+Na-2H]- 217.16862 154.2
[M]+ 196.19340 146.3
[M]- 196.19450 146.3
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.