CID 162155

Diglycerindiformal

Structural Information

Molecular Formula

C₈H₁₄O₅

SMILES

C1C(OCO1)COCC2COCO2

InChI

InChI=1S/C8H14O5/c1(7-3-10-5-12-7)9-2-8-4-11-6-13-8/h7-8H,1-6H2

InChIKey

GBTVFZDADUZIIQ-UHFFFAOYSA-N

Compound name

4-(1,3-dioxolan-4-ylmethoxymethyl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 26
Patents: 190.08412 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]+	191.091396	138.5
[M+Na]+	213.073338	143.2
[M-H]-	189.076844	146.4
[M+NH4]+	208.117943	155.3
[M+K]+	229.047278	148.0
[M+H-H2O]+	173.081380	134.6
[M+HCOO]-	235.082321	157.5
[M+CH3COO]-	249.097971	177.3
[M+Na-2H]-	211.058786	144.5
[M]+	190.08357142	140.8
[M]-	190.08466858	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe