CID 21871658

185022-12-2

Structural Information

Molecular Formula

C₄H₁₁NO₃

SMILES

C(COCCON)O

InChI

InChI=1S/C4H11NO3/c5-8-4-3-7-2-1-6/h6H,1-5H2

InChIKey

CMECGOAFIHUPBI-UHFFFAOYSA-N

Compound name

2-(2-aminooxyethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 3702
Patents: 121.07389 Da
Monoisotopic Mass: -1.7
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]+	122.08117	122.9
[M+Na]+	144.06311	129.6
[M-H]-	120.06661	121.4
[M+NH4]+	139.10771	144.1
[M+K]+	160.03705	129.9
[M+H-H2O]+	104.07115	118.0
[M+HCOO]-	166.07209	146.9
[M+CH3COO]-	180.08774	168.6
[M+Na-2H]-	142.04856	129.7
[M]+	121.07334	124.0
[M]-	121.07444	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe