CID 31249

Diethyl succinate

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CCOC(=O)CCC(=O)OCC

InChI

InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3

InChIKey

DKMROQRQHGEIOW-UHFFFAOYSA-N

Compound name

diethyl butanedioate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 46
References: 30470
Patents: 174.0892 Da
Monoisotopic Mass: 1.2
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]+	175.09648	138.0
[M+Na]+	197.07842	146.8
[M+NH4]+	192.12302	144.0
[M+K]+	213.05236	142.9
[M-H]-	173.08192	135.6
[M+Na-2H]-	195.06387	139.8
[M]+	174.08865	138.1
[M]-	174.08975	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe