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]+ 144.10192 129.9
[M+Na]+ 166.08386 134.7
[M-H]- 142.08736 121.8
[M+NH4]+ 161.12846 152.8
[M+K]+ 182.05780 131.9
[M+H-H2O]+ 126.09190 126.5
[M+HCOO]- 188.09284 137.4
[M+CH3COO]- 202.10849 139.8
[M+Na-2H]- 164.06931 140.5
[M]+ 143.09409 127.1
[M]- 143.09519 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.