CID 34043

Brn 1636770

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

C#CCOCC1CCC(=O)O1

InChI

InChI=1S/C8H10O3/c1-2-5-10-6-7-3-4-8(9)11-7/h1,7H,3-6H2

InChIKey

OFRGUEUKTJODEE-UHFFFAOYSA-N

Compound name

5-(prop-2-ynoxymethyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.06299 Da
Monoisotopic Mass: 0.2
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]+	155.07027	131.0
[M+Na]+	177.05221	140.9
[M+NH4]+	172.09681	135.2
[M+K]+	193.02615	134.6
[M-H]-	153.05571	124.5
[M+Na-2H]-	175.03766	131.6
[M]+	154.06244	129.5
[M]-	154.06354	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.