CID 53484287

Methyl 2-amino-2-(oxetan-3-yl)acetate

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

COC(=O)C(C1COC1)N

InChI

InChI=1S/C6H11NO3/c1-9-6(8)5(7)4-2-10-3-4/h4-5H,2-3,7H2,1H3

InChIKey

PEBXHAVHVOZWTQ-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-(oxetan-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 145.0739 Da
Monoisotopic Mass: -0.9
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]+	146.081176	129.7
[M+Na]+	168.063118	133.6
[M-H]-	144.066624	133.1
[M+NH4]+	163.107723	142.3
[M+K]+	184.037058	138.8
[M+H-H2O]+	128.071160	118.5
[M+HCOO]-	190.072101	149.9
[M+CH3COO]-	204.087751	178.9
[M+Na-2H]-	166.048566	133.9
[M]+	145.07335142	137.5
[M]-	145.07444858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe