CID 18126

2984-50-1

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CCCCCCC1CO1

InChI

InChI=1S/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3

InChIKey

NJWSNNWLBMSXQR-UHFFFAOYSA-N

Compound name

2-hexyloxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 11588
Patents: 128.12012 Da
Monoisotopic Mass: 3.0
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]+	129.127396	129.1
[M+Na]+	151.109338	137.6
[M-H]-	127.112844	134.2
[M+NH4]+	146.153943	145.4
[M+K]+	167.083278	137.4
[M+H-H2O]+	111.117380	123.0
[M+HCOO]-	173.118321	151.9
[M+CH3COO]-	187.133971	177.2
[M+Na-2H]-	149.094786	136.9
[M]+	128.11957142	134.3
[M]-	128.12066858	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe