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: 2
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]+	167.106656	132.4
[M+Na]+	189.088598	141.0
[M-H]-	165.092104	134.8
[M+NH4]+	184.133203	149.9
[M+K]+	205.062538	138.7
[M+H-H2O]+	149.096640	121.2
[M+HCOO]-	211.097581	147.1
[M+CH3COO]-	225.113231	185.3
[M+Na-2H]-	187.074046	137.3
[M]+	166.09883142	125.9
[M]-	166.09992858	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe