CID 4296140

2,3-diacetylsuccinic anhydride

Structural Information

Molecular Formula

C₈H₈O₅

SMILES

CC(=O)C1C(C(=O)OC1=O)C(=O)C

InChI

InChI=1S/C8H8O5/c1-3(9)5-6(4(2)10)8(12)13-7(5)11/h5-6H,1-2H3

InChIKey

IUTCCKBNLGSFGM-UHFFFAOYSA-N

Compound name

3,4-diacetyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 184.03717 Da
Monoisotopic Mass: -0.6
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]+	185.04445	131.8
[M+Na]+	207.02639	140.7
[M-H]-	183.02989	136.7
[M+NH4]+	202.07099	152.3
[M+K]+	223.00033	141.6
[M+H-H2O]+	167.03443	127.8
[M+HCOO]-	229.03537	153.5
[M+CH3COO]-	243.05102	181.3
[M+Na-2H]-	205.01184	133.6
[M]+	184.03662	134.2
[M]-	184.03772	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe