CID 98702

40516-46-9

Structural Information

Molecular Formula

C₁₀H₁₈O₅

SMILES

CCOCC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C10H18O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h8H,4-7H2,1-3H3

InChIKey

ZEMAAYXNKBMRGV-UHFFFAOYSA-N

Compound name

diethyl 2-(ethoxymethyl)propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 218.11542 Da
Monoisotopic Mass: 1.1
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]+	219.122696	149.4
[M+Na]+	241.104638	154.9
[M-H]-	217.108144	149.3
[M+NH4]+	236.149243	167.8
[M+K]+	257.078578	156.3
[M+H-H2O]+	201.112680	143.9
[M+HCOO]-	263.113621	170.6
[M+CH3COO]-	277.129271	188.6
[M+Na-2H]-	239.090086	150.8
[M]+	218.11487142	156.1
[M]-	218.11596858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe