CID 20099033

2243504-43-8

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

COCC1=CC(=NO1)CN

InChI

InChI=1S/C6H10N2O2/c1-9-4-6-2-5(3-7)8-10-6/h2H,3-4,7H2,1H3

InChIKey

IGCGXAQQMDRJRS-UHFFFAOYSA-N

Compound name

[5-(methoxymethyl)-1,2-oxazol-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.07423 Da
Monoisotopic Mass: -1.1
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]+	143.08151	126.8
[M+Na]+	165.06345	135.4
[M-H]-	141.06695	129.6
[M+NH4]+	160.10805	147.2
[M+K]+	181.03739	135.8
[M+H-H2O]+	125.07149	120.6
[M+HCOO]-	187.07243	151.7
[M+CH3COO]-	201.08808	174.2
[M+Na-2H]-	163.04890	133.8
[M]+	142.07368	128.9
[M]-	142.07478	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.