CID 3080693

4-aminobicyclo[2.2.2]octane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
C1CC2(CCC1(CC2)C(=O)O)N
InChI
InChI=1S/C9H15NO2/c10-9-4-1-8(2-5-9,3-6-9)7(11)12/h1-6,10H2,(H,11,12)
InChIKey
ITNWSEKOBRDGLY-UHFFFAOYSA-N
Compound name
4-aminobicyclo[2.2.2]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

82
Patents

169.11028 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 136.2
[M+Na]+ 192.09950 143.6
[M+NH4]+ 187.14410 149.0
[M+K]+ 208.07344 134.6
[M-H]- 168.10300 133.8
[M+Na-2H]- 190.08495 136.2
[M]+ 169.10973 136.6
[M]- 169.11083 136.6
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