CID 13760939

40117-63-3

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: 165
Patents: 155.09464 Da
Monoisotopic Mass: -2.0
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	141.1
[M+NH4]+	173.12846	143.6
[M+K]+	194.05780	133.5
[M-H]-	154.08736	128.9
[M+Na-2H]-	176.06931	131.2
[M]+	155.09409	132.4
[M]-	155.09519	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe