CID 12376

629-15-2

Structural Information

Molecular Formula

C₄H₆O₄

SMILES

C(COC=O)OC=O

InChI

InChI=1S/C4H6O4/c5-3-7-1-2-8-4-6/h3-4H,1-2H2

InChIKey

IKCQWKJZLSDDSS-UHFFFAOYSA-N

Compound name

2-formyloxyethyl formate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 3747
Patents: 118.02661 Da
Monoisotopic Mass: 0.0
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]+	119.033886	117.5
[M+Na]+	141.015828	126.1
[M-H]-	117.019334	118.1
[M+NH4]+	136.060433	140.0
[M+K]+	156.989768	127.1
[M+H-H2O]+	101.023870	113.1
[M+HCOO]-	163.024811	143.3
[M+CH3COO]-	177.040461	167.3
[M+Na-2H]-	139.001276	125.9
[M]+	118.02606142	122.5
[M]-	118.02715858	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe