CID 102111

1322-34-5

Structural Information

Molecular Formula

C₁₂H₂₀O₃

SMILES

CC#CCCCCCCCOC(=O)OC

InChI

InChI=1S/C12H20O3/c1-3-4-5-6-7-8-9-10-11-15-12(13)14-2/h5-11H2,1-2H3

InChIKey

OIRNNICOQNNTGF-UHFFFAOYSA-N

Compound name

dec-8-ynyl methyl carbonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 212.14125 Da
Monoisotopic Mass: 3.9
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]+	213.148526	146.4
[M+Na]+	235.130468	154.2
[M-H]-	211.133974	145.6
[M+NH4]+	230.175073	163.5
[M+K]+	251.104408	152.5
[M+H-H2O]+	195.138510	135.1
[M+HCOO]-	257.139451	163.1
[M+CH3COO]-	271.155101	194.9
[M+Na-2H]-	233.115916	149.2
[M]+	212.14070142	146.5
[M]-	212.14179858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe