CID 75110

Itaconic anhydride

Structural Information

Molecular Formula

C₅H₄O₃

SMILES

C=C1CC(=O)OC1=O

InChI

InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2

InChIKey

OFNISBHGPNMTMS-UHFFFAOYSA-N

Compound name

3-methylideneoxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 28902
Patents: 112.016045 Da
Monoisotopic Mass: 0.2
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]+	113.02332	118.4
[M+Na]+	135.00526	129.2
[M+NH4]+	130.04987	126.3
[M+K]+	150.97920	126.7
[M-H]-	111.00877	119.8
[M+Na-2H]-	132.99071	121.9
[M]+	112.01550	120.0
[M]-	112.01659	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe