CID 12160932

2-ethynyloxane

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C#CC1CCCCO1

InChI

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

InChIKey

ZKTKNSXLODIMFZ-UHFFFAOYSA-N

Compound name

2-ethynyloxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 110.073166 Da
Monoisotopic Mass: 1.1
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	118.1
[M+Na]+	133.06238	126.6
[M-H]-	109.06589	120.5
[M+NH4]+	128.10699	137.2
[M+K]+	149.03632	124.9
[M+H-H2O]+	93.070426	107.2
[M+HCOO]-	155.07137	133.2
[M+CH3COO]-	169.08702	176.4
[M+Na-2H]-	131.04783	125.1
[M]+	110.07262	109.7
[M]-	110.07371	109.7

Literature stripe

literature stripe

Patent stripe

patents stripe