CID 71302984

3-ethynyltetrahydro-2h-pyran

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C#CC1CCCOC1

InChI

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

InChIKey

DTLSLEAJHZFBHX-UHFFFAOYSA-N

Compound name

3-ethynyloxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 110.073166 Da
Monoisotopic Mass: 0.9
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]+	111.08044	124.2
[M+Na]+	133.06238	135.7
[M+NH4]+	128.10699	130.1
[M+K]+	149.03632	126.7
[M-H]-	109.06589	119.6
[M+Na-2H]-	131.04783	127.0
[M]+	110.07262	123.7
[M]-	110.07371	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe