CID 86072

O-bis(epoxyethyl)benzene

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1C(O1)C2=CC=CC=C2C3CO3

InChI

InChI=1S/C10H10O2/c1-2-4-8(10-6-12-10)7(3-1)9-5-11-9/h1-4,9-10H,5-6H2

InChIKey

PNKXHASQRASSBI-UHFFFAOYSA-N

Compound name

2-[2-(oxiran-2-yl)phenyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1057
Patents: 162.06808 Da
Monoisotopic Mass: 0.8
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]+	163.07536	140.1
[M+Na]+	185.05730	148.8
[M-H]-	161.06080	151.4
[M+NH4]+	180.10190	147.4
[M+K]+	201.03124	150.6
[M+H-H2O]+	145.06534	133.2
[M+HCOO]-	207.06628	160.3
[M+CH3COO]-	221.08193	152.1
[M+Na-2H]-	183.04275	147.1
[M]+	162.06753	145.5
[M]-	162.06863	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe