CID 43121768

3-amino-1-azabicyclo[2.2.2]octane-3-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C8H14N2O2
SMILES
C1CN2CCC1C(C2)(C(=O)O)N
InChI
InChI=1S/C8H14N2O2/c9-8(7(11)12)5-10-3-1-6(8)2-4-10/h6H,1-5,9H2,(H,11,12)
InChIKey
LXFNKALFOUSWOB-UHFFFAOYSA-N
Compound name
3-amino-1-azabicyclo[2.2.2]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

170.10553 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 136.8
[M+Na]+ 193.09475 141.3
[M-H]- 169.09825 130.5
[M+NH4]+ 188.13935 161.0
[M+K]+ 209.06869 139.5
[M+H-H2O]+ 153.10279 132.5
[M+HCOO]- 215.10373 146.4
[M+CH3COO]- 229.11938 146.7
[M+Na-2H]- 191.08020 147.7
[M]+ 170.10498 134.9
[M]- 170.10608 134.9
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