CID 9816596

Diethyl 2,3-diisopropylsuccinate

Structural Information

Molecular Formula

C₁₄H₂₆O₄

SMILES

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

InChI

InChI=1S/C14H26O4/c1-7-17-13(15)11(9(3)4)12(10(5)6)14(16)18-8-2/h9-12H,7-8H2,1-6H3

InChIKey

WGFNXLQURMLAGC-UHFFFAOYSA-N

Compound name

diethyl 2,3-di(propan-2-yl)butanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1397
Patents: 258.1831 Da
Monoisotopic Mass: 3.3
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]+	259.19038	163.2
[M+Na]+	281.17232	169.3
[M+NH4]+	276.21692	167.6
[M+K]+	297.14626	167.4
[M-H]-	257.17582	159.6
[M+Na-2H]-	279.15777	162.1
[M]+	258.18255	162.5
[M]-	258.18365	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe