CID 13570870

1-ethynylcyclohexyl methyl carbonate

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

COC(=O)OC1(CCCCC1)C#C

InChI

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

InChIKey

DUKYMIANLXOGEL-UHFFFAOYSA-N

Compound name

(1-ethynylcyclohexyl) methyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 182.0943 Da
Monoisotopic Mass: 2.2
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	139.8
[M+Na]+	205.08352	149.5
[M+NH4]+	200.12812	145.2
[M+K]+	221.05746	139.8
[M-H]-	181.08702	132.6
[M+Na-2H]-	203.06897	142.5
[M]+	182.09375	138.2
[M]-	182.09485	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe