CID 24729653

477585-43-6

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

COC(=O)C(C1CCOCC1)N

InChI

InChI=1S/C8H15NO3/c1-11-8(10)7(9)6-2-4-12-5-3-6/h6-7H,2-5,9H2,1H3

InChIKey

GLXVKVOENRRZDF-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-(oxan-4-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 173.1052 Da
Monoisotopic Mass: -0.2
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]+	174.11248	138.4
[M+Na]+	196.09442	146.6
[M+NH4]+	191.13902	145.6
[M+K]+	212.06836	143.3
[M-H]-	172.09792	140.5
[M+Na-2H]-	194.07987	141.2
[M]+	173.10465	139.7
[M]-	173.10575	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe