CID 8134

2-(2-methoxyethoxy)ethanol

Structural Information

Molecular Formula

C₅H₁₂O₃

SMILES

COCCOCCO

InChI

InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3

InChIKey

SBASXUCJHJRPEV-UHFFFAOYSA-N

Compound name

2-(2-methoxyethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 26
References: 21592
Patents: 120.07864 Da
Monoisotopic Mass: -0.9
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]+	121.08592	123.6
[M+Na]+	143.06786	130.8
[M-H]-	119.07136	122.6
[M+NH4]+	138.11246	145.5
[M+K]+	159.04180	131.4
[M+H-H2O]+	103.07590	119.2
[M+HCOO]-	165.07684	147.0
[M+CH3COO]-	179.09249	167.4
[M+Na-2H]-	141.05331	130.8
[M]+	120.07809	127.0
[M]-	120.07919	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe