CID 21303798

1452228-22-6

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

CNC1(CCOCC1)C(=O)OC

InChI

InChI=1S/C8H15NO3/c1-9-8(7(10)11-2)3-5-12-6-4-8/h9H,3-6H2,1-2H3

InChIKey

MZFPHZXVWPNGET-UHFFFAOYSA-N

Compound name

methyl 4-(methylamino)oxane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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	138.1
[M+Na]+	196.09442	147.0
[M+NH4]+	191.13902	147.0
[M+K]+	212.06836	141.0
[M-H]-	172.09792	140.5
[M+Na-2H]-	194.07987	143.3
[M]+	173.10465	139.8
[M]-	173.10575	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe