CID 10263319

Lyngbyacarbonate

Structural Information

Molecular Formula

C₉H₁₂O₇

SMILES

COC(=O)CC1(COC(=O)O1)CC(=O)OC

InChI

InChI=1S/C9H12O7/c1-13-6(10)3-9(4-7(11)14-2)5-15-8(12)16-9/h3-5H2,1-2H3

InChIKey

VXJKZPFTLIABMM-UHFFFAOYSA-N

Compound name

methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1,3-dioxolan-4-yl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.0583 Da
Monoisotopic Mass: -0.2
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]+	233.06558	143.9
[M+Na]+	255.04752	151.0
[M-H]-	231.05102	148.7
[M+NH4]+	250.09212	162.6
[M+K]+	271.02146	154.5
[M+H-H2O]+	215.05556	140.0
[M+HCOO]-	277.05650	164.5
[M+CH3COO]-	291.07215	185.6
[M+Na-2H]-	253.03297	149.0
[M]+	232.05775	150.3
[M]-	232.05885	150.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.