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

7
Patents

170.10553 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.112806 136.8
[M+Na]+ 193.094748 141.3
[M-H]- 169.098254 130.5
[M+NH4]+ 188.139353 161.0
[M+K]+ 209.068688 139.5
[M+H-H2O]+ 153.102790 132.5
[M+HCOO]- 215.103731 146.4
[M+CH3COO]- 229.119381 146.7
[M+Na-2H]- 191.080196 147.7
[M]+ 170.10498142 134.9
[M]- 170.10607858 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