CID 3661569

Erythritol bis(carbonate)

Structural Information

Molecular Formula

C₆H₆O₆

SMILES

C1C(OC(=O)O1)C2COC(=O)O2

InChI

InChI=1S/C6H6O6/c7-5-9-1-3(11-5)4-2-10-6(8)12-4/h3-4H,1-2H2

InChIKey

ZWGIZHOZSXFSNW-UHFFFAOYSA-N

Compound name

4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 174.01643 Da
Monoisotopic Mass: 0.5
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]+	175.02371	129.1
[M+Na]+	197.00565	137.0
[M-H]-	173.00915	138.3
[M+NH4]+	192.05025	147.0
[M+K]+	212.97959	141.4
[M+H-H2O]+	157.01369	126.3
[M+HCOO]-	219.01463	149.4
[M+CH3COO]-	233.03028	174.5
[M+Na-2H]-	194.99110	135.2
[M]+	174.01588	131.7
[M]-	174.01698	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe