CID 13760939

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

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CN2CCC1(CC2)C(=O)O
InChI
InChI=1S/C8H13NO2/c10-7(11)8-1-4-9(5-2-8)6-3-8/h1-6H2,(H,10,11)
InChIKey
XXPLDHNFTITERR-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

155.09464 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.5
[M+Na]+ 178.08386 137.8
[M-H]- 154.08736 127.5
[M+NH4]+ 173.12846 158.5
[M+K]+ 194.05780 136.2
[M+H-H2O]+ 138.09190 128.9
[M+HCOO]- 200.09284 142.7
[M+CH3COO]- 214.10849 143.8
[M+Na-2H]- 176.06931 145.4
[M]+ 155.09409 132.7
[M]- 155.09519 132.7
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