CID 6437891

4,5-epoxy-2-pentenal

Structural Information

Molecular Formula

C₅H₆O₂

SMILES

C1C(O1)/C=C/C=O

InChI

InChI=1S/C5H6O2/c6-3-1-2-5-4-7-5/h1-3,5H,4H2/b2-1+

InChIKey

MCZFDRQUPJCHON-OWOJBTEDSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 98.03678 Da
Monoisotopic Mass: -0.4
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]+	99.044056	117.9
[M+Na]+	121.025998	128.3
[M-H]-	97.029504	123.7
[M+NH4]+	116.070603	135.3
[M+K]+	136.999938	127.9
[M+H-H2O]+	81.034040	112.4
[M+HCOO]-	143.034981	142.2
[M+CH3COO]-	157.050631	168.0
[M+Na-2H]-	119.011446	127.1
[M]+	98.03623142	122.0
[M]-	98.03732858	122.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe