CID 117238

2h-pyran-2-one, tetrahydro-6-(2-pentynyl)-

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CCC#CCC1CCCC(=O)O1

InChI

InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2,5-8H2,1H3

InChIKey

XTUXFHPUXDXBKV-UHFFFAOYSA-N

Compound name

6-pent-2-ynyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 166.09938 Da
Monoisotopic Mass: 2.1
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]+	167.10666	137.8
[M+Na]+	189.08860	148.7
[M+NH4]+	184.13320	142.4
[M+K]+	205.06254	139.6
[M-H]-	165.09210	132.4
[M+Na-2H]-	187.07405	139.1
[M]+	166.09883	136.8
[M]-	166.09993	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe