CID 556252

(2,7-octadien-1-yl)succinic anhydride

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

C=CCCCC=CCC1CC(=O)OC1=O

InChI

InChI=1S/C12H16O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h2,6-7,10H,1,3-5,8-9H2

InChIKey

XPIQJMUYUKAKNX-UHFFFAOYSA-N

Compound name

3-octa-2,7-dienyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 299
Patents: 208.10994 Da
Monoisotopic Mass: 2.5
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]+	209.117216	146.7
[M+Na]+	231.099158	153.8
[M-H]-	207.102664	150.3
[M+NH4]+	226.143763	166.3
[M+K]+	247.073098	151.7
[M+H-H2O]+	191.107200	141.6
[M+HCOO]-	253.108141	168.6
[M+CH3COO]-	267.123791	185.5
[M+Na-2H]-	229.084606	148.9
[M]+	208.10939142	148.4
[M]-	208.11048858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe