CID 22286103

1-(aminooxy)-3-methoxypropan-2-ol

Structural Information

Molecular Formula

C₄H₁₁NO₃

SMILES

COCC(CON)O

InChI

InChI=1S/C4H11NO3/c1-7-2-4(6)3-8-5/h4,6H,2-3,5H2,1H3

InChIKey

PJOCRKSXKKGYCO-UHFFFAOYSA-N

Compound name

1-aminooxy-3-methoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 121.07389 Da
Monoisotopic Mass: -1.4
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]+	122.081166	123.9
[M+Na]+	144.063108	130.3
[M-H]-	120.066614	122.4
[M+NH4]+	139.107713	144.9
[M+K]+	160.037048	131.1
[M+H-H2O]+	104.071150	119.0
[M+HCOO]-	166.072091	146.9
[M+CH3COO]-	180.087741	169.4
[M+Na-2H]-	142.048556	129.2
[M]+	121.07334142	124.3
[M]-	121.07443858	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe