CID 78121

2,2'-methylenebis(1,3-dioxolane)

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

C1COC(O1)CC2OCCO2

InChI

InChI=1S/C7H12O4/c1-2-9-6(8-1)5-7-10-3-4-11-7/h6-7H,1-5H2

InChIKey

DIMWHKNNIBAPFI-UHFFFAOYSA-N

Compound name

2-(1,3-dioxolan-2-ylmethyl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 160.07356 Da
Monoisotopic Mass: -0.1
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]+	161.080836	131.5
[M+Na]+	183.062778	136.8
[M-H]-	159.066284	139.7
[M+NH4]+	178.107383	149.7
[M+K]+	199.036718	141.3
[M+H-H2O]+	143.070820	128.0
[M+HCOO]-	205.071761	150.7
[M+CH3COO]-	219.087411	172.2
[M+Na-2H]-	181.048226	137.9
[M]+	160.07301142	132.1
[M]-	160.07410858	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe