CID 111009

Allylsuccinic anhydride

Structural Information

Molecular Formula

C₇H₈O₃

SMILES

C=CCC1CC(=O)OC1=O

InChI

InChI=1S/C7H8O3/c1-2-3-5-4-6(8)10-7(5)9/h2,5H,1,3-4H2

InChIKey

WUMMIJWEUDHZCL-UHFFFAOYSA-N

Compound name

3-prop-2-enyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4348
Patents: 140.04735 Da
Monoisotopic Mass: 0.7
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]+	141.05463	127.3
[M+Na]+	163.03657	137.7
[M+NH4]+	158.08117	134.8
[M+K]+	179.01051	134.7
[M-H]-	139.04007	128.6
[M+Na-2H]-	161.02202	130.2
[M]+	140.04680	128.8
[M]-	140.04790	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe