CID 112055

10500-34-2

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CCCC=CCC1CC(=O)OC1=O

InChI

InChI=1S/C10H14O3/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h4-5,8H,2-3,6-7H2,1H3

InChIKey

VWXVGDSPDMSWFP-UHFFFAOYSA-N

Compound name

3-hex-2-enyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 150
Patents: 182.0943 Da
Monoisotopic Mass: 1.9
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	138.8
[M+Na]+	205.08352	146.4
[M-H]-	181.08702	142.8
[M+NH4]+	200.12812	159.5
[M+K]+	221.05746	145.4
[M+H-H2O]+	165.09156	134.0
[M+HCOO]-	227.09250	161.2
[M+CH3COO]-	241.10815	180.2
[M+Na-2H]-	203.06897	142.1
[M]+	182.09375	140.4
[M]-	182.09485	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe