CID 5362689

2-octenylsuccinic anhydride

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

CCCCC/C=C/CC1CC(=O)OC1=O

InChI

InChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h6-7,10H,2-5,8-9H2,1H3/b7-6+

InChIKey

WSGFXVFLWVXTCJ-VOTSOKGWSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 978
Patents: 210.1256 Da
Monoisotopic Mass: 3.0
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]+	211.13288	148.2
[M+Na]+	233.11482	155.0
[M-H]-	209.11832	151.8
[M+NH4]+	228.15942	167.8
[M+K]+	249.08876	153.5
[M+H-H2O]+	193.12286	143.0
[M+HCOO]-	255.12380	169.9
[M+CH3COO]-	269.13945	186.3
[M+Na-2H]-	231.10027	150.4
[M]+	210.12505	150.6
[M]-	210.12615	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe