CID 32721

Oxirane, 2,2'-(1,6-hexanediyl)bis-

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

C1C(O1)CCCCCCC2CO2

InChI

InChI=1S/C10H18O2/c1(3-5-9-7-11-9)2-4-6-10-8-12-10/h9-10H,1-8H2

InChIKey

CFHWRTNORXTUDE-UHFFFAOYSA-N

Compound name

2-[6-(oxiran-2-yl)hexyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 605
Patents: 170.13068 Da
Monoisotopic Mass: 2.1
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]+	171.13796	148.4
[M+Na]+	193.11990	155.2
[M-H]-	169.12340	156.6
[M+NH4]+	188.16450	155.5
[M+K]+	209.09384	156.6
[M+H-H2O]+	153.12794	141.2
[M+HCOO]-	215.12888	166.8
[M+CH3COO]-	229.14453	193.0
[M+Na-2H]-	191.10535	153.9
[M]+	170.13013	155.7
[M]-	170.13123	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe