CID 89221

1,2-epoxyeicosane

Structural Information

Molecular Formula

C₂₀H₄₀O

SMILES

CCCCCCCCCCCCCCCCCCC1CO1

InChI

InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21-20/h20H,2-19H2,1H3

InChIKey

BHZBVWCLMYQFQX-UHFFFAOYSA-N

Compound name

2-octadecyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1505
Patents: 296.30792 Da
Monoisotopic Mass: 9.5
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]+	297.315196	179.9
[M+Na]+	319.297138	183.6
[M-H]-	295.300644	182.8
[M+NH4]+	314.341743	189.8
[M+K]+	335.271078	180.3
[M+H-H2O]+	279.305180	171.6
[M+HCOO]-	341.306121	199.0
[M+CH3COO]-	355.321771	211.6
[M+Na-2H]-	317.282586	181.5
[M]+	296.30737142	189.5
[M]-	296.30846858	189.5

Literature stripe

literature stripe

Patent stripe

patents stripe