CID 102708

1886-89-1

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(C)(C#CC=C)OCC1CO1

InChI

InChI=1S/C10H14O2/c1-4-5-6-10(2,3)12-8-9-7-11-9/h4,9H,1,7-8H2,2-3H3

InChIKey

YQJCMJPWVZEDPX-UHFFFAOYSA-N

Compound name

2-(2-methylhex-5-en-3-yn-2-yloxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.09938 Da
Monoisotopic Mass: 1.4
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	133.0
[M+Na]+	189.088598	147.9
[M-H]-	165.092104	138.8
[M+NH4]+	184.133203	148.1
[M+K]+	205.062538	143.6
[M+H-H2O]+	149.096640	124.2
[M+HCOO]-	211.097581	150.8
[M+CH3COO]-	225.113231	189.5
[M+Na-2H]-	187.074046	141.4
[M]+	166.09883142	134.8
[M]-	166.09992858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.