CID 129983923

2-(cyclopent-3-en-1-yl)oxirane

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1C=CCC1C2CO2

InChI

InChI=1S/C7H10O/c1-2-4-6(3-1)7-5-8-7/h1-2,6-7H,3-5H2

InChIKey

ACFOPYYBONDCSO-UHFFFAOYSA-N

Compound name

2-cyclopent-3-en-1-yloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 110.073166 Da
Monoisotopic Mass: 1.3
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]+	111.080442	118.3
[M+Na]+	133.062384	127.5
[M-H]-	109.065890	126.5
[M+NH4]+	128.106989	136.6
[M+K]+	149.036324	127.4
[M+H-H2O]+	93.070426	112.6
[M+HCOO]-	155.071367	142.2
[M+CH3COO]-	169.087017	170.3
[M+Na-2H]-	131.047832	125.9
[M]+	110.07261742	119.9
[M]-	110.07371458	119.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe