CID 82594230

2248401-32-1

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1C(CC12CC2C(=O)O)N

InChI

InChI=1S/C7H11NO2/c8-4-1-7(2-4)3-5(7)6(9)10/h4-5H,1-3,8H2,(H,9,10)

InChIKey

ZIUJCJRJCYZVPM-UHFFFAOYSA-N

Compound name

5-aminospiro[2.3]hexane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 141.07898 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]+	142.08626	132.5
[M+Na]+	164.06820	138.7
[M+NH4]+	159.11280	138.5
[M+K]+	180.04214	136.3
[M-H]-	140.07170	137.9
[M+Na-2H]-	162.05365	137.6
[M]+	141.07843	134.8
[M]-	141.07953	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe