CID 33807

3,4-epoxyoctane

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CCCCC1C(O1)CC

InChI

InChI=1S/C8H16O/c1-3-5-6-8-7(4-2)9-8/h7-8H,3-6H2,1-2H3

InChIKey

QKHUXWLXTLMABH-UHFFFAOYSA-N

Compound name

2-butyl-3-ethyloxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 328
Patents: 128.12012 Da
Monoisotopic Mass: 2.7
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	128.5
[M+Na]+	151.109338	137.9
[M-H]-	127.112844	134.0
[M+NH4]+	146.153943	145.1
[M+K]+	167.083278	137.6
[M+H-H2O]+	111.117380	122.6
[M+HCOO]-	173.118321	151.2
[M+CH3COO]-	187.133971	178.3
[M+Na-2H]-	149.094786	135.6
[M]+	128.11957142	134.1
[M]-	128.12066858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe