CID 47335

3,7-dimethyl-2-isopropylbispidine dihydrochloride

Structural Information

Molecular Formula
C12H24N2
SMILES
CC(C)C1C2CC(CN(C2)C)CN1C
InChI
InChI=1S/C12H24N2/c1-9(2)12-11-5-10(7-14(12)4)6-13(3)8-11/h9-12H,5-8H2,1-4H3
InChIKey
WXRPZVYVKFMVSN-UHFFFAOYSA-N
Compound name
3,7-dimethyl-2-propan-2-yl-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.201226 150.2
[M+Na]+ 219.183168 155.5
[M-H]- 195.186674 149.3
[M+NH4]+ 214.227773 169.0
[M+K]+ 235.157108 153.3
[M+H-H2O]+ 179.191210 143.2
[M+HCOO]- 241.192151 162.4
[M+CH3COO]- 255.207801 190.5
[M+Na-2H]- 217.168616 152.4
[M]+ 196.19340142 146.1
[M]- 196.19449858 146.1
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.