CID 25324754

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

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CC2(CCC1CN2)C(=O)O
InChI
InChI=1S/C8H13NO2/c10-7(11)8-3-1-6(2-4-8)5-9-8/h6,9H,1-5H2,(H,10,11)
InChIKey
IAFJBSCCDZTHPI-UHFFFAOYSA-N
Compound name
2-azabicyclo[2.2.2]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

155.09464 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 134.3
[M+Na]+ 178.08386 138.3
[M-H]- 154.08736 127.0
[M+NH4]+ 173.12846 158.6
[M+K]+ 194.05780 135.8
[M+H-H2O]+ 138.09190 130.0
[M+HCOO]- 200.09284 142.0
[M+CH3COO]- 214.10849 143.9
[M+Na-2H]- 176.06931 145.7
[M]+ 155.09409 131.7
[M]- 155.09519 131.7
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