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	131.4
[M+Na]+	168.06312	136.6
[M-H]-	144.06662	130.9
[M+NH4]+	163.10772	145.2
[M+K]+	184.03706	138.9
[M+H-H2O]+	128.07116	121.9
[M+HCOO]-	190.07210	149.0
[M+CH3COO]-	204.08775	171.8
[M+Na-2H]-	166.04857	136.8
[M]+	145.07335	138.4
[M]-	145.07445	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe