CID 11062492

1,4-diazabicyclo[2.2.2]octane-2-methanol

Structural Information

Molecular Formula
C7H14N2O
SMILES
C1CN2CCN1CC2CO
InChI
InChI=1S/C7H14N2O/c10-6-7-5-8-1-3-9(7)4-2-8/h7,10H,1-6H2
InChIKey
MPJZCYUPWINKPK-UHFFFAOYSA-N
Compound name
1,4-diazabicyclo[2.2.2]octan-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

376
Patents

142.11061 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 129.9
[M+Na]+ 165.099828 134.5
[M-H]- 141.103334 122.6
[M+NH4]+ 160.144433 152.6
[M+K]+ 181.073768 132.9
[M+H-H2O]+ 125.107870 124.5
[M+HCOO]- 187.108811 139.0
[M+CH3COO]- 201.124461 140.1
[M+Na-2H]- 163.085276 141.8
[M]+ 142.11006142 129.2
[M]- 142.11115858 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe