CID 5352429

Dtxsid50940361

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CCCCCC1C(O1)/C=C/C=O

InChI

InChI=1S/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3/b7-5+

InChIKey

HIOMEXREAUSUBP-FNORWQNLSA-N

Compound name

(E)-3-(3-pentyloxiran-2-yl)prop-2-enal

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 32
References: 274
Patents: 168.11504 Da
Monoisotopic Mass: 2.0
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]+	169.12232	138.9
[M+Na]+	191.10426	148.2
[M-H]-	167.10776	144.2
[M+NH4]+	186.14886	153.9
[M+K]+	207.07820	146.4
[M+H-H2O]+	151.11230	132.8
[M+HCOO]-	213.11324	161.6
[M+CH3COO]-	227.12889	183.6
[M+Na-2H]-	189.08971	144.9
[M]+	168.11449	145.3
[M]-	168.11559	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe