CID 29678

5-hexenyloxirane

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C=CCCCCC1CO1

InChI

InChI=1S/C8H14O/c1-2-3-4-5-6-8-7-9-8/h2,8H,1,3-7H2

InChIKey

UKTHULMXFLCNAV-UHFFFAOYSA-N

Compound name

2-hex-5-enyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2321
Patents: 126.10446 Da
Monoisotopic Mass: 2.5
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]+	127.11174	128.0
[M+Na]+	149.09368	136.8
[M-H]-	125.09718	133.2
[M+NH4]+	144.13828	144.4
[M+K]+	165.06762	136.0
[M+H-H2O]+	109.10172	122.0
[M+HCOO]-	171.10266	151.0
[M+CH3COO]-	185.11831	176.4
[M+Na-2H]-	147.07913	135.8
[M]+	126.10391	132.5
[M]-	126.10501	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe