CID 64916164

3-ethynyloxan-3-ol

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C#CC1(CCCOC1)O

InChI

InChI=1S/C7H10O2/c1-2-7(8)4-3-5-9-6-7/h1,8H,3-6H2

InChIKey

AXEGWTIRZGZOCV-UHFFFAOYSA-N

Compound name

3-ethynyloxan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 126.06808 Da
Monoisotopic Mass: -0.1
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]+	127.07536	125.6
[M+Na]+	149.05730	136.3
[M+NH4]+	144.10190	131.9
[M+K]+	165.03124	126.7
[M-H]-	125.06080	120.1
[M+Na-2H]-	147.04275	129.0
[M]+	126.06753	124.8
[M]-	126.06863	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe