CID 66314

1,2-epoxy-5-hexene

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C=CCCC1CO1

InChI

InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2

InChIKey

MUUOUUYKIVSIAR-UHFFFAOYSA-N

Compound name

2-but-3-enyloxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 9388
Patents: 98.073166 Da
Monoisotopic Mass: 1.4
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]+	99.080442	119.3
[M+Na]+	121.062384	128.9
[M-H]-	97.065890	124.9
[M+NH4]+	116.106989	136.7
[M+K]+	137.036324	128.7
[M+H-H2O]+	81.070426	113.7
[M+HCOO]-	143.071367	142.9
[M+CH3COO]-	157.087017	170.6
[M+Na-2H]-	119.047832	128.2
[M]+	98.07261742	123.1
[M]-	98.07371458	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe