CID 151211

1,1-ethanediol

Structural Information

Molecular Formula

C₂H₆O₂

SMILES

CC(O)O

InChI

InChI=1S/C2H6O2/c1-2(3)4/h2-4H,1H3

InChIKey

AZHSSKPUVBVXLK-UHFFFAOYSA-N

Compound name

ethane-1,1-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 512
References: 20239
Patents: 62.03678 Da
Monoisotopic Mass: -0.6
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	107.5
[M+Na]+	85.025998	117.5
[M+NH4]+	80.070603	115.6
[M+K]+	100.99994	114.0
[M-H]-	61.029504	106.0
[M+Na-2H]-	83.011446	111.2
[M]+	62.036231	108.2
[M]-	62.037329	108.2

Literature stripe

literature stripe

Patent stripe

patents stripe