CID 10898717

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

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C#CCC1CCCCO1

InChI

InChI=1S/C8H12O/c1-2-5-8-6-3-4-7-9-8/h1,8H,3-7H2

InChIKey

CUMDSDTZMMDOPL-UHFFFAOYSA-N

Compound name

2-prop-2-ynyloxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 124.08881 Da
Monoisotopic Mass: 1.6
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]+	125.09609	128.3
[M+Na]+	147.07803	139.6
[M+NH4]+	142.12263	134.0
[M+K]+	163.05197	130.4
[M-H]-	123.08153	123.6
[M+Na-2H]-	145.06348	130.9
[M]+	124.08826	127.7
[M]-	124.08936	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe