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: 33
Patents: 155.09464 Da
Monoisotopic Mass: -1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	156.10192	132.1
[M+Na]+	178.08386	140.4
[M+NH4]+	173.12846	143.1
[M+K]+	194.05780	133.2
[M-H]-	154.08736	128.3
[M+Na-2H]-	176.06931	130.5
[M]+	155.09409	132.0
[M]-	155.09519	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe