CID 96461

4359-54-0

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CC1COC(O1)C2=CC=CO2

InChI

InChI=1S/C8H10O3/c1-6-5-10-8(11-6)7-3-2-4-9-7/h2-4,6,8H,5H2,1H3

InChIKey

YYYNPYRBPLTQJC-UHFFFAOYSA-N

Compound name

2-(furan-2-yl)-4-methyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 56
Patents: 154.06299 Da
Monoisotopic Mass: 0.9
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]+	155.070266	128.6
[M+Na]+	177.052208	136.6
[M-H]-	153.055714	137.4
[M+NH4]+	172.096813	149.1
[M+K]+	193.026148	139.3
[M+H-H2O]+	137.060250	124.9
[M+HCOO]-	199.061191	151.3
[M+CH3COO]-	213.076841	172.8
[M+Na-2H]-	175.037656	135.0
[M]+	154.06244142	130.8
[M]-	154.06353858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe