CID 11815960

Dtxsid40873831

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

C=CCCC1CC(=O)OC1=O

InChI

InChI=1S/C8H10O3/c1-2-3-4-6-5-7(9)11-8(6)10/h2,6H,1,3-5H2

InChIKey

CNNCFWUTUQLKNM-UHFFFAOYSA-N

Compound name

3-but-3-enyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 154.06299 Da
Monoisotopic Mass: 1.0
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]+	155.070266	129.1
[M+Na]+	177.052208	137.5
[M-H]-	153.055714	133.4
[M+NH4]+	172.096813	150.9
[M+K]+	193.026148	137.0
[M+H-H2O]+	137.060250	124.7
[M+HCOO]-	199.061191	152.1
[M+CH3COO]-	213.076841	174.8
[M+Na-2H]-	175.037656	133.5
[M]+	154.06244142	130.1
[M]-	154.06353858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe