CID 53772468

82248-68-8

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CCC(C=CC)C1CC(=O)OC1=O

InChI

InChI=1S/C10H14O3/c1-3-5-7(4-2)8-6-9(11)13-10(8)12/h3,5,7-8H,4,6H2,1-2H3

InChIKey

DPPABQIFLUXEPO-UHFFFAOYSA-N

Compound name

3-hex-4-en-3-yloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 182.0943 Da
Monoisotopic Mass: 1.8
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]+	183.10158	140.9
[M+Na]+	205.08352	150.3
[M+NH4]+	200.12812	147.8
[M+K]+	221.05746	147.4
[M-H]-	181.08702	141.8
[M+Na-2H]-	203.06897	142.6
[M]+	182.09375	142.1
[M]-	182.09485	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe