CID 132372816

2171644-99-6

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

CC1(CC(CCO1)N)C(=O)OC

InChI

InChI=1S/C8H15NO3/c1-8(7(10)11-2)5-6(9)3-4-12-8/h6H,3-5,9H2,1-2H3

InChIKey

KZROLUVOBXVEDP-UHFFFAOYSA-N

Compound name

methyl 4-amino-2-methyloxane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	137.5
[M+Na]+	196.09442	146.5
[M+NH4]+	191.13902	146.3
[M+K]+	212.06836	141.0
[M-H]-	172.09792	139.8
[M+Na-2H]-	194.07987	142.1
[M]+	173.10465	139.3
[M]-	173.10575	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.