CID 91800970

3-ethoxyazetidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CCOC1(CNC1)C(=O)O

InChI

InChI=1S/C6H11NO3/c1-2-10-6(5(8)9)3-7-4-6/h7H,2-4H2,1H3,(H,8,9)

InChIKey

RLENEUIXGITAMT-UHFFFAOYSA-N

Compound name

3-ethoxyazetidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 145.0739 Da
Monoisotopic Mass: -3.0
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]+	146.08118	132.3
[M+Na]+	168.06312	136.5
[M+NH4]+	163.10772	136.0
[M+K]+	184.03706	133.3
[M-H]-	144.06662	127.8
[M+Na-2H]-	166.04857	133.9
[M]+	145.07335	130.1
[M]-	145.07445	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe