CID 70435599

2-{2,5-diazabicyclo[2.2.2]octan-2-yl}ethan-1-ol

Structural Information

Molecular Formula
C8H16N2O
SMILES
C1CC2CN(C1CN2)CCO
InChI
InChI=1S/C8H16N2O/c11-4-3-10-6-7-1-2-8(10)5-9-7/h7-9,11H,1-6H2
InChIKey
DTFZFNJOQKXOBY-UHFFFAOYSA-N
Compound name
2-(2,5-diazabicyclo[2.2.2]octan-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

156.12627 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 135.1
[M+Na]+ 179.11549 139.0
[M-H]- 155.11899 126.3
[M+NH4]+ 174.16009 156.5
[M+K]+ 195.08943 136.2
[M+H-H2O]+ 139.12353 129.9
[M+HCOO]- 201.12447 142.3
[M+CH3COO]- 215.14012 144.2
[M+Na-2H]- 177.10094 146.1
[M]+ 156.12572 133.0
[M]- 156.12682 133.0
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