CID 87303552

2-(prop-2-yn-1-yl)oxolane

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C#CCC1CCCO1

InChI

InChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h1,7H,3-6H2

InChIKey

HJIRCYNVOYQYPT-UHFFFAOYSA-N

Compound name

2-prop-2-ynyloxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 110.073166 Da
Monoisotopic Mass: 1.2
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]+	111.08044	119.3
[M+Na]+	133.06238	128.7
[M-H]-	109.06589	121.7
[M+NH4]+	128.10699	140.1
[M+K]+	149.03632	126.9
[M+H-H2O]+	93.070426	108.4
[M+HCOO]-	155.07137	136.3
[M+CH3COO]-	169.08702	176.2
[M+Na-2H]-	131.04783	125.0
[M]+	110.07262	112.8
[M]-	110.07371	112.8

Literature stripe

literature stripe

Patent stripe

patents stripe