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

83
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 139.0
[M+Na]+ 192.09950 143.4
[M-H]- 168.10300 134.0
[M+NH4]+ 187.14410 166.2
[M+K]+ 208.07344 141.1
[M+H-H2O]+ 152.10754 135.3
[M+HCOO]- 214.10848 149.3
[M+CH3COO]- 228.12413 149.2
[M+Na-2H]- 190.08495 150.6
[M]+ 169.10973 136.8
[M]- 169.11083 136.8
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