CID 53346571

1105662-99-4

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

COC(=O)CC1(COC1)N

InChI

InChI=1S/C6H11NO3/c1-9-5(8)2-6(7)3-10-4-6/h2-4,7H2,1H3

InChIKey

RYJCNSXLGUROLB-UHFFFAOYSA-N

Compound name

methyl 2-(3-aminooxetan-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 145.0739 Da
Monoisotopic Mass: -0.8
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	132.1
[M+Na]+	168.06312	136.4
[M+NH4]+	163.10772	136.5
[M+K]+	184.03706	133.3
[M-H]-	144.06662	130.8
[M+Na-2H]-	166.04857	134.1
[M]+	145.07335	130.9
[M]-	145.07445	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe