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]+ 197.201226 150.1
[M+Na]+ 219.183168 154.7
[M-H]- 195.186674 148.8
[M+NH4]+ 214.227773 168.6
[M+K]+ 235.157108 152.0
[M+H-H2O]+ 179.191210 142.5
[M+HCOO]- 241.192151 163.3
[M+CH3COO]- 255.207801 188.5
[M+Na-2H]- 217.168616 154.2
[M]+ 196.19340142 146.3
[M]- 196.19449858 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.