CID 3016943

55206-69-4

Structural Information

Molecular Formula

C₈H₁₆O₅

SMILES

C1C(O1)COCC(CO)(CO)CO

InChI

InChI=1S/C8H16O5/c9-3-8(4-10,5-11)6-12-1-7-2-13-7/h7,9-11H,1-6H2

InChIKey

SRTFSXUQGZSYIO-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-2-(oxiran-2-ylmethoxymethyl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 608
Patents: 192.09978 Da
Monoisotopic Mass: -2.2
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]+	193.107056	139.6
[M+Na]+	215.088998	147.0
[M-H]-	191.092504	140.7
[M+NH4]+	210.133603	151.2
[M+K]+	231.062938	145.5
[M+H-H2O]+	175.097040	134.2
[M+HCOO]-	237.097981	157.2
[M+CH3COO]-	251.113631	177.9
[M+Na-2H]-	213.074446	146.8
[M]+	192.09923142	144.8
[M]-	192.10032858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe