CID 263158

1708-41-4

Structural Information

Molecular Formula

C₇H₈O₃

SMILES

C1COC(O1)C2=CC=CO2

InChI

InChI=1S/C7H8O3/c1-2-6(8-3-1)7-9-4-5-10-7/h1-3,7H,4-5H2

InChIKey

FCACHSUJEMZCMK-UHFFFAOYSA-N

Compound name

2-(furan-2-yl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 283
Patents: 140.04735 Da
Monoisotopic Mass: 0.4
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]+	141.054626	124.0
[M+Na]+	163.036568	131.4
[M-H]-	139.040074	132.4
[M+NH4]+	158.081173	144.6
[M+K]+	179.010508	134.5
[M+H-H2O]+	123.044610	120.1
[M+HCOO]-	185.045551	147.0
[M+CH3COO]-	199.061201	139.4
[M+Na-2H]-	161.022016	131.5
[M]+	140.04680142	125.4
[M]-	140.04789858	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe