CID 6436935

1,2-epoxy-3-(propenyloxy)propane

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C/C=C/OCC1CO1

InChI

InChI=1S/C6H10O2/c1-2-3-7-4-6-5-8-6/h2-3,6H,4-5H2,1H3/b3-2+

InChIKey

QXONIHMUSQFKJU-NSCUHMNNSA-N

Compound name

2-[[(E)-prop-1-enoxy]methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 114.06808 Da
Monoisotopic Mass: 0.7
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]+	115.075356	123.3
[M+Na]+	137.057298	133.0
[M-H]-	113.060804	128.9
[M+NH4]+	132.101903	140.1
[M+K]+	153.031238	133.0
[M+H-H2O]+	97.065340	117.5
[M+HCOO]-	159.066281	147.1
[M+CH3COO]-	173.081931	171.8
[M+Na-2H]-	135.042746	132.0
[M]+	114.06753142	128.5
[M]-	114.06862858	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe