CID 108821

59726-44-2

Structural Information

Molecular Formula

C₁₅H₂₆O₄

SMILES

CCOC(=O)C(CCC(C)C)(CC=C)C(=O)OCC

InChI

InChI=1S/C15H26O4/c1-6-10-15(11-9-12(4)5,13(16)18-7-2)14(17)19-8-3/h6,12H,1,7-11H2,2-5H3

InChIKey

UWMMFJJQWYLAAX-UHFFFAOYSA-N

Compound name

diethyl 2-(3-methylbutyl)-2-prop-2-enylpropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 270.1831 Da
Monoisotopic Mass: 4.1
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]+	271.190376	166.8
[M+Na]+	293.172318	171.2
[M-H]-	269.175824	166.2
[M+NH4]+	288.216923	183.4
[M+K]+	309.146258	170.6
[M+H-H2O]+	253.180360	161.6
[M+HCOO]-	315.181301	184.9
[M+CH3COO]-	329.196951	200.9
[M+Na-2H]-	291.157766	166.6
[M]+	270.18255142	172.8
[M]-	270.18364858	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe