CID 91289

1,?-propanediol, 2(or 3)-(2-propen-1-yloxy)-

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

C=CCOC(CO)CO

InChI

InChI=1S/C6H12O3/c1-2-3-9-6(4-7)5-8/h2,6-8H,1,3-5H2

InChIKey

IGDCJKDZZUALAO-UHFFFAOYSA-N

Compound name

2-prop-2-enoxypropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 5196
Patents: 132.07864 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]+	133.08592	128.2
[M+Na]+	155.06786	134.6
[M-H]-	131.07136	125.6
[M+NH4]+	150.11246	148.7
[M+K]+	171.04180	133.7
[M+H-H2O]+	115.07590	123.9
[M+HCOO]-	177.07684	148.9
[M+CH3COO]-	191.09249	167.7
[M+Na-2H]-	153.05331	132.9
[M]+	132.07809	128.6
[M]-	132.07919	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe