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

194
Patents

141.11537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 132.0
[M+Na]+ 164.104588 137.0
[M-H]- 140.108094 127.4
[M+NH4]+ 159.149193 160.5
[M+K]+ 180.078528 134.3
[M+H-H2O]+ 124.112630 128.2
[M+HCOO]- 186.113571 143.4
[M+CH3COO]- 200.129221 142.9
[M+Na-2H]- 162.090036 145.1
[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