CID 72208254

2-ethynyl-5,8-dioxaspiro[3.4]octane

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

C#CC1CC2(C1)OCCO2

InChI

InChI=1S/C8H10O2/c1-2-7-5-8(6-7)9-3-4-10-8/h1,7H,3-6H2

InChIKey

VPUXPPJOFRHHAQ-UHFFFAOYSA-N

Compound name

2-ethynyl-5,8-dioxaspiro[3.4]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 138.06808 Da
Monoisotopic Mass: 0.5
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]+	139.07536	125.5
[M+Na]+	161.05730	132.0
[M+NH4]+	156.10190	128.8
[M+K]+	177.03124	126.2
[M-H]-	137.06080	119.4
[M+Na-2H]-	159.04275	126.2
[M]+	138.06753	123.0
[M]-	138.06863	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe