CID 7820

Dimethyl succinate

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

COC(=O)CCC(=O)OC

InChI

InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3

InChIKey

MUXOBHXGJLMRAB-UHFFFAOYSA-N

Compound name

dimethyl butanedioate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 86
References: 36400
Patents: 146.0579 Da
Monoisotopic Mass: 0.4
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]+	147.06518	127.9
[M+Na]+	169.04712	135.4
[M-H]-	145.05062	128.5
[M+NH4]+	164.09172	149.4
[M+K]+	185.02106	136.8
[M+H-H2O]+	129.05516	123.3
[M+HCOO]-	191.05610	151.2
[M+CH3COO]-	205.07175	173.6
[M+Na-2H]-	167.03257	132.7
[M]+	146.05735	132.3
[M]-	146.05845	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe