CID 15932745

(tetrapropenyl)succinic acid

Structural Information

Molecular Formula

C₁₆H₂₂O₄

SMILES

C=CCC(CC=C)(C(=O)O)C(CC=C)(CC=C)C(=O)O

InChI

InChI=1S/C16H22O4/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20/h5-8H,1-4,9-12H2,(H,17,18)(H,19,20)

InChIKey

GSONHGLQHNTBED-UHFFFAOYSA-N

Compound name

2,2,3,3-tetrakis(prop-2-enyl)butanedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 21
Patents: 278.1518 Da
Monoisotopic Mass: 3.4
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]+	279.159076	165.8
[M+Na]+	301.141018	170.1
[M-H]-	277.144524	162.3
[M+NH4]+	296.185623	180.2
[M+K]+	317.114958	165.7
[M+H-H2O]+	261.149060	161.6
[M+HCOO]-	323.150001	180.5
[M+CH3COO]-	337.165651	197.0
[M+Na-2H]-	299.126466	166.6
[M]+	278.15125142	166.5
[M]-	278.15234858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe