CID 16127399

2-azabicyclo[2.2.2]octan-1-ylmethanol

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CC2(CCC1CN2)CO
InChI
InChI=1S/C8H15NO/c10-6-8-3-1-7(2-4-8)5-9-8/h7,9-10H,1-6H2
InChIKey
HVYZMMLSXWDJLJ-UHFFFAOYSA-N
Compound name
2-azabicyclo[2.2.2]octan-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

141.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 132.0
[M+Na]+ 164.10459 136.2
[M-H]- 140.10809 124.8
[M+NH4]+ 159.14919 157.2
[M+K]+ 180.07853 133.2
[M+H-H2O]+ 124.11263 127.6
[M+HCOO]- 186.11357 140.5
[M+CH3COO]- 200.12922 141.9
[M+Na-2H]- 162.09004 144.4
[M]+ 141.11482 129.3
[M]- 141.11592 129.3
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