CID 16993

1,2-epoxydecane

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CCCCCCCCC1CO1

InChI

InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-10-9-11-10/h10H,2-9H2,1H3

InChIKey

AAMHBRRZYSORSH-UHFFFAOYSA-N

Compound name

2-octyloxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11924
Patents: 156.15141 Da
Monoisotopic Mass: 4.1
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]+	157.15869	137.7
[M+Na]+	179.14063	145.4
[M-H]-	155.14413	142.5
[M+NH4]+	174.18523	153.0
[M+K]+	195.11457	144.7
[M+H-H2O]+	139.14867	131.2
[M+HCOO]-	201.14961	159.9
[M+CH3COO]-	215.16526	183.0
[M+Na-2H]-	177.12608	144.5
[M]+	156.15086	143.6
[M]-	156.15196	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe