CID 146675415

2-azabicyclo[2.2.2]octane-5,6-diol hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CC2C(C(C1CN2)O)O
InChI
InChI=1S/C7H13NO2/c9-6-4-1-2-5(7(6)10)8-3-4/h4-10H,1-3H2
InChIKey
PFJYNTUGONXYSQ-UHFFFAOYSA-N
Compound name
2-azabicyclo[2.2.2]octane-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 129.9
[M+Na]+ 166.083858 134.7
[M-H]- 142.087364 121.8
[M+NH4]+ 161.128463 152.8
[M+K]+ 182.057798 131.9
[M+H-H2O]+ 126.091900 126.5
[M+HCOO]- 188.092841 137.4
[M+CH3COO]- 202.108491 139.8
[M+Na-2H]- 164.069306 140.5
[M]+ 143.09409142 127.1
[M]- 143.09518858 127.1
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.