CID 138040598

2247104-24-9

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CCOC(=O)C1(CCCO1)CC#C

InChI

InChI=1S/C10H14O3/c1-3-6-10(7-5-8-13-10)9(11)12-4-2/h1H,4-8H2,2H3

InChIKey

VSPXETUNEVKYQS-UHFFFAOYSA-N

Compound name

ethyl 2-prop-2-ynyloxolane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.0943 Da
Monoisotopic Mass: 1.3
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]+	183.10158	137.6
[M+Na]+	205.08352	146.9
[M-H]-	181.08702	140.0
[M+NH4]+	200.12812	157.4
[M+K]+	221.05746	144.6
[M+H-H2O]+	165.09156	127.0
[M+HCOO]-	227.09250	153.4
[M+CH3COO]-	241.10815	186.8
[M+Na-2H]-	203.06897	141.8
[M]+	182.09375	133.6
[M]-	182.09485	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.