CID 75356322

Methyl 2-(3-aminooxan-3-yl)acetate

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

COC(=O)CC1(CCCOC1)N

InChI

InChI=1S/C8H15NO3/c1-11-7(10)5-8(9)3-2-4-12-6-8/h2-6,9H2,1H3

InChIKey

ZTOUZARIOOFVOE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.1052 Da
Monoisotopic Mass: -0.1
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	138.2
[M+Na]+	196.09442	146.8
[M+NH4]+	191.13902	147.0
[M+K]+	212.06836	141.1
[M-H]-	172.09792	140.5
[M+Na-2H]-	194.07987	143.0
[M]+	173.10465	139.9
[M]-	173.10575	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.