CID 56840941

M-bis(epoxyethyl)benzene

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1C(O1)C2=CC(=CC=C2)C3CO3

InChI

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

InChIKey

MNJXNYZBVQJILF-UHFFFAOYSA-N

Compound name

2-[3-(oxiran-2-yl)phenyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 222
Patents: 162.06808 Da
Monoisotopic Mass: 1.1
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	120.6
[M+Na]+	185.05730	135.5
[M+NH4]+	180.10190	130.1
[M+K]+	201.03124	133.8
[M-H]-	161.06080	139.0
[M+Na-2H]-	183.04275	133.8
[M]+	162.06753	130.0
[M]-	162.06863	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe