CID 51027

4-meta

Structural Information

Molecular Formula

C₁₅H₁₂O₇

SMILES

CC(=C)C(=O)OCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2=O

InChI

InChI=1S/C15H12O7/c1-8(2)12(16)20-5-6-21-13(17)9-3-4-10-11(7-9)15(19)22-14(10)18/h3-4,7H,1,5-6H2,2H3

InChIKey

RMCCONIRBZIDTH-UHFFFAOYSA-N

Compound name

2-(2-methylprop-2-enoyloxy)ethyl 1,3-dioxo-2-benzofuran-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 542
References: 2945
Patents: 304.0583 Da
Monoisotopic Mass: 2.0
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]+	305.06558	162.6
[M+Na]+	327.04752	170.4
[M-H]-	303.05102	168.0
[M+NH4]+	322.09212	178.8
[M+K]+	343.02146	170.3
[M+H-H2O]+	287.05556	157.2
[M+HCOO]-	349.05650	182.7
[M+CH3COO]-	363.07215	202.9
[M+Na-2H]-	325.03297	163.6
[M]+	304.05775	169.2
[M]-	304.05885	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe