CID 204325

16169-86-1

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CC(=O)OC(C#C)C1CCCCC1

InChI

InChI=1S/C11H16O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h1,10-11H,4-8H2,2H3

InChIKey

WRTQKWBSYQGIFV-UHFFFAOYSA-N

Compound name

1-cyclohexylprop-2-ynyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 180.11504 Da
Monoisotopic Mass: 2.6
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]+	181.12232	141.1
[M+Na]+	203.10426	147.8
[M-H]-	179.10776	142.5
[M+NH4]+	198.14886	158.6
[M+K]+	219.07820	144.8
[M+H-H2O]+	163.11230	129.6
[M+HCOO]-	225.11324	154.3
[M+CH3COO]-	239.12889	189.2
[M+Na-2H]-	201.08971	142.5
[M]+	180.11449	132.8
[M]-	180.11559	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe