CID 20568205

98426-66-5

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

C1CN2CCC1C(C2)(C(=O)O)O

InChI

InChI=1S/C8H13NO3/c10-7(11)8(12)5-9-3-1-6(8)2-4-9/h6,12H,1-5H2,(H,10,11)

InChIKey

RYDHUUBZWDAFGL-UHFFFAOYSA-N

Compound name

3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 171.08954 Da
Monoisotopic Mass: -2.7
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]+	172.09682	134.3
[M+Na]+	194.07876	142.5
[M+NH4]+	189.12336	144.8
[M+K]+	210.05270	136.1
[M-H]-	170.08226	130.1
[M+Na-2H]-	192.06421	132.2
[M]+	171.08899	134.1
[M]-	171.09009	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe