CID 111009

3-allyl(dihydro)furan-2,5-dione

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: 5528
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]+	141.054626	124.4
[M+Na]+	163.036568	133.2
[M-H]-	139.040074	128.8
[M+NH4]+	158.081173	146.7
[M+K]+	179.010508	133.0
[M+H-H2O]+	123.044610	120.2
[M+HCOO]-	185.045551	147.7
[M+CH3COO]-	199.061201	171.8
[M+Na-2H]-	161.022016	129.3
[M]+	140.04680142	125.0
[M]-	140.04789858	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe