CID 174

Ethylene glycol

Structural Information

Molecular Formula

C₂H₆O₂

SMILES

C(CO)O

InChI

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

InChIKey

LYCAIKOWRPUZTN-UHFFFAOYSA-N

Compound name

ethane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 4460
References: 711279
Patents: 62.03678 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]+	63.044056	107.9
[M+Na]+	85.025998	115.9
[M-H]-	61.029504	106.0
[M+NH4]+	80.070603	131.4
[M+K]+	100.99994	115.9
[M+H-H2O]+	45.034040	104.6
[M+HCOO]-	107.03498	130.5
[M+CH3COO]-	121.05063	153.6
[M+Na-2H]-	83.011446	116.1
[M]+	62.036231	106.7
[M]-	62.037329	106.7

Literature stripe

literature stripe

Patent stripe

patents stripe