CID 14888418

5-(oxan-2-yloxy)pent-2-ynal

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1CCOC(C1)OCCC#CC=O

InChI

InChI=1S/C10H14O3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h7,10H,2,4-6,8-9H2

InChIKey

PCWRXIRXECXUJN-UHFFFAOYSA-N

Compound name

5-(oxan-2-yloxy)pent-2-ynal

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	142.0
[M+Na]+	205.08352	152.1
[M+NH4]+	200.12812	146.1
[M+K]+	221.05746	143.3
[M-H]-	181.08702	136.0
[M+Na-2H]-	203.06897	143.0
[M]+	182.09375	140.7
[M]-	182.09485	140.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.