CID 84650078

{2-methyl-2-azabicyclo[2.2.2]octan-6-yl}methanamine dihydrochloride

Structural Information

Molecular Formula
C9H18N2
SMILES
CN1CC2CCC1C(C2)CN
InChI
InChI=1S/C9H18N2/c1-11-6-7-2-3-9(11)8(4-7)5-10/h7-9H,2-6,10H2,1H3
InChIKey
MFVITJSWSGVFEG-UHFFFAOYSA-N
Compound name
(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.147 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.15428 135.4
[M+Na]+ 177.13622 139.7
[M-H]- 153.13972 130.4
[M+NH4]+ 172.18082 159.4
[M+K]+ 193.11016 137.6
[M+H-H2O]+ 137.14426 130.5
[M+HCOO]- 199.14520 146.6
[M+CH3COO]- 213.16085 145.8
[M+Na-2H]- 175.12167 145.3
[M]+ 154.14645 133.8
[M]- 154.14755 133.8
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.