CID 14789978

3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol dihydrochloride

Structural Information

Molecular Formula
C8H16N2O
SMILES
C1CN2CCC1C(C2)(CN)O
InChI
InChI=1S/C8H16N2O/c9-5-8(11)6-10-3-1-7(8)2-4-10/h7,11H,1-6,9H2
InChIKey
UONKGCZCROZZCD-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

156.12627 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 134.6
[M+Na]+ 179.11549 139.2
[M-H]- 155.11899 128.3
[M+NH4]+ 174.16009 159.5
[M+K]+ 195.08943 136.9
[M+H-H2O]+ 139.12353 130.0
[M+HCOO]- 201.12447 144.9
[M+CH3COO]- 215.14012 144.7
[M+Na-2H]- 177.10094 146.4
[M]+ 156.12572 132.5
[M]- 156.12682 132.5
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

patents stripe