CID 7923

Maleic anhydride

Structural Information

Molecular Formula

C₄H₂O₃

SMILES

C1=CC(=O)OC1=O

InChI

InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H

InChIKey

FPYJFEHAWHCUMM-UHFFFAOYSA-N

Compound name

furan-2,5-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1102
References: 187028
Patents: 98.0004 Da
Monoisotopic Mass: -0.1
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]+	99.007676	110.2
[M+Na]+	120.989618	120.1
[M-H]-	96.993124	115.2
[M+NH4]+	116.034223	134.1
[M+K]+	136.963558	121.2
[M+H-H2O]+	80.997660	106.2
[M+HCOO]-	142.998601	135.9
[M+CH3COO]-	157.014251	161.9
[M+Na-2H]-	118.975066	118.4
[M]+	97.99985142	111.5
[M]-	98.00094858	111.5

Literature stripe

literature stripe

Patent stripe

patents stripe