CID 70215

Diallyl succinate

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

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

InChI

InChI=1S/C10H14O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-4H,1-2,5-8H2

InChIKey

HABAXTXIECRCKH-UHFFFAOYSA-N

Compound name

bis(prop-2-enyl) butanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21308
Patents: 198.0892 Da
Monoisotopic Mass: 1.2
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]+	199.096476	143.3
[M+Na]+	221.078418	149.7
[M-H]-	197.081924	143.2
[M+NH4]+	216.123023	162.5
[M+K]+	237.052358	148.9
[M+H-H2O]+	181.086460	138.1
[M+HCOO]-	243.087401	165.7
[M+CH3COO]-	257.103051	183.9
[M+Na-2H]-	219.063866	146.0
[M]+	198.08865142	147.7
[M]-	198.08974858	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe