CID 19997

Divinyl adipate

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

C=COC(=O)CCCCC(=O)OC=C

InChI

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

InChIKey

JZQAAQZDDMEFGZ-UHFFFAOYSA-N

Compound name

bis(ethenyl) hexanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 14491
Patents: 198.0892 Da
Monoisotopic Mass: 1.6
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]+	199.09648	143.3
[M+Na]+	221.07842	149.7
[M-H]-	197.08192	143.2
[M+NH4]+	216.12302	162.5
[M+K]+	237.05236	148.9
[M+H-H2O]+	181.08646	138.1
[M+HCOO]-	243.08740	165.7
[M+CH3COO]-	257.10305	183.9
[M+Na-2H]-	219.06387	146.0
[M]+	198.08865	147.7
[M]-	198.08975	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe