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

3
Patents

141.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 132.0
[M+Na]+ 164.104588 136.2
[M-H]- 140.108094 124.8
[M+NH4]+ 159.149193 157.2
[M+K]+ 180.078528 133.2
[M+H-H2O]+ 124.112630 127.6
[M+HCOO]- 186.113571 140.5
[M+CH3COO]- 200.129221 141.9
[M+Na-2H]- 162.090036 144.4
[M]+ 141.11482142 129.3
[M]- 141.11591858 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