CID 15699917

137344-86-6

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

C#CC1(CCOC1)O

InChI

InChI=1S/C6H8O2/c1-2-6(7)3-4-8-5-6/h1,7H,3-5H2

InChIKey

MDKYDLOXSGSJCT-UHFFFAOYSA-N

Compound name

3-ethynyloxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 112.05243 Da
Monoisotopic Mass: -0.5
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]+	113.05971	119.4
[M+Na]+	135.04165	129.9
[M-H]-	111.04515	121.2
[M+NH4]+	130.08625	141.3
[M+K]+	151.01559	127.4
[M+H-H2O]+	95.049690	109.7
[M+HCOO]-	157.05063	135.6
[M+CH3COO]-	171.06628	172.4
[M+Na-2H]-	133.02710	126.2
[M]+	112.05188	112.5
[M]-	112.05298	112.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe