CID 14970970

2-(pent-4-yn-1-yl)oxirane

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C#CCCCC1CO1

InChI

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

InChIKey

PWYUJPMCHKZSIA-UHFFFAOYSA-N

Compound name

2-pent-4-ynyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	111.080442	115.1
[M+Na]+	133.062384	130.5
[M-H]-	109.065890	121.0
[M+NH4]+	128.106989	132.0
[M+K]+	149.036324	126.7
[M+H-H2O]+	93.070426	106.2
[M+HCOO]-	155.071367	134.8
[M+CH3COO]-	169.087017	181.8
[M+Na-2H]-	131.047832	124.8
[M]+	110.07261742	115.8
[M]-	110.07371458	115.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe