CID 79090

632-56-4

Structural Information

Molecular Formula

C₁₄H₂₂O₈

SMILES

CCOC(=O)C(C(C(=O)OCC)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C14H22O8/c1-5-19-11(15)9(12(16)20-6-2)10(13(17)21-7-3)14(18)22-8-4/h9-10H,5-8H2,1-4H3

InChIKey

UQSBVZIXVVORQC-UHFFFAOYSA-N

Compound name

tetraethyl ethane-1,1,2,2-tetracarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 183
Patents: 318.13147 Da
Monoisotopic Mass: 1.6
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]+	319.138746	170.5
[M+Na]+	341.120688	174.1
[M-H]-	317.124194	169.8
[M+NH4]+	336.165293	194.1
[M+K]+	357.094628	176.7
[M+H-H2O]+	301.128730	164.3
[M+HCOO]-	363.129671	188.7
[M+CH3COO]-	377.145321	206.4
[M+Na-2H]-	339.106136	166.9
[M]+	318.13092142	179.6
[M]-	318.13201858	179.6

Literature stripe

literature stripe

Patent stripe

patents stripe