CID 5362721

1-octenylsuccinic anhydride

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

CCCCCC/C=C/C1CC(=O)OC1=O

InChI

InChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h7-8,10H,2-6,9H2,1H3/b8-7+

InChIKey

FLISWPFVWWWNNP-BQYQJAHWSA-N

Compound name

3-[(E)-oct-1-enyl]oxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 7
References: 12764
Patents: 210.1256 Da
Monoisotopic Mass: 3.2
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]+	211.132876	148.2
[M+Na]+	233.114818	155.0
[M-H]-	209.118324	151.8
[M+NH4]+	228.159423	167.8
[M+K]+	249.088758	153.5
[M+H-H2O]+	193.122860	143.0
[M+HCOO]-	255.123801	169.9
[M+CH3COO]-	269.139451	186.3
[M+Na-2H]-	231.100266	150.4
[M]+	210.12505142	150.6
[M]-	210.12614858	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe