CID 101752

Sodiumacetic acid sodium salt

Structural Information

Molecular Formula

C₂H₄O₂

SMILES

C=C(O)O

InChI

InChI=1S/C2H4O2/c1-2(3)4/h3-4H,1H2

InChIKey

LONYOMRPNGXPGP-UHFFFAOYSA-N

Compound name

ethene-1,1-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4835
Patents: 60.02113 Da
Monoisotopic Mass: 0.4
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]+	61.028406	106.8
[M+Na]+	83.010348	114.9
[M-H]-	59.013854	105.1
[M+NH4]+	78.054953	130.3
[M+K]+	98.984288	114.7
[M+H-H2O]+	43.018390	103.7
[M+HCOO]-	105.01933	128.6
[M+CH3COO]-	119.03498	153.5
[M+Na-2H]-	80.995796	113.8
[M]+	60.020581	104.3
[M]-	60.021679	104.3

Literature stripe

literature stripe

Patent stripe

patents stripe