CID 112040

2-(4-ethenylphenyl)oxirane

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

C=CC1=CC=C(C=C1)C2CO2

InChI

InChI=1S/C10H10O/c1-2-8-3-5-9(6-4-8)10-7-11-10/h2-6,10H,1,7H2

InChIKey

DENMIBABNWPFEG-UHFFFAOYSA-N

Compound name

2-(4-ethenylphenyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 281
Patents: 146.07317 Da
Monoisotopic Mass: 2.4
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]+	147.08045	127.5
[M+Na]+	169.06239	137.8
[M-H]-	145.06589	136.2
[M+NH4]+	164.10699	143.1
[M+K]+	185.03633	136.2
[M+H-H2O]+	129.07043	121.1
[M+HCOO]-	191.07137	151.7
[M+CH3COO]-	205.08702	178.7
[M+Na-2H]-	167.04784	136.1
[M]+	146.07262	130.6
[M]-	146.07372	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe