CID 139017476

2344685-69-2

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1CC2(C1)CC(CN2)C(=O)O

InChI

InChI=1S/C8H13NO2/c10-7(11)6-4-8(9-5-6)2-1-3-8/h6,9H,1-5H2,(H,10,11)

InChIKey

CSZKJCOOCVANTQ-UHFFFAOYSA-N

Compound name

5-azaspiro[3.4]octane-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 155.09464 Da
Monoisotopic Mass: -2.1
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	135.7
[M+Na]+	178.08386	139.2
[M+NH4]+	173.12846	140.6
[M+K]+	194.05780	137.0
[M-H]-	154.08736	132.6
[M+Na-2H]-	176.06931	137.2
[M]+	155.09409	133.8
[M]-	155.09519	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.