CID 11528968

Dtxsid501222715

Structural Information

Molecular Formula

C₁₄H₂₂O₄

SMILES

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

InChI

InChI=1S/C14H22O4/c1-7-17-13(15)11(9(3)4)12(10(5)6)14(16)18-8-2/h7-8H2,1-6H3

InChIKey

GKAXQJCQMJJHRO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 254.15181 Da
Monoisotopic Mass: 3.6
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]+	255.15909	161.7
[M+Na]+	277.14103	168.0
[M+NH4]+	272.18563	165.6
[M+K]+	293.11497	165.9
[M-H]-	253.14453	157.6
[M+Na-2H]-	275.12648	160.4
[M]+	254.15126	160.8
[M]-	254.15236	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe