CID 12560134

4-aminobicyclo[2.2.2]octan-1-ol hydrochloride

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CC2(CCC1(CC2)N)O
InChI
InChI=1S/C8H15NO/c9-7-1-4-8(10,5-2-7)6-3-7/h10H,1-6,9H2
InChIKey
XOWRJAXBYGZUQY-UHFFFAOYSA-N
Compound name
4-aminobicyclo[2.2.2]octan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

141.11537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 132.0
[M+Na]+ 164.10459 137.0
[M-H]- 140.10809 127.4
[M+NH4]+ 159.14919 160.5
[M+K]+ 180.07853 134.3
[M+H-H2O]+ 124.11263 128.2
[M+HCOO]- 186.11357 143.4
[M+CH3COO]- 200.12922 142.9
[M+Na-2H]- 162.09004 145.1
[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