CID 202906

1,2-epoxy-4-(epoxyethyl)benzene

Structural Information

Molecular Formula

C₈H₆O₂

SMILES

C1C(O1)C2=CC3=C(O3)C=C2

InChI

InChI=1S/C8H6O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h1-3,8H,4H2

InChIKey

ASZDXZKUBDYMPZ-UHFFFAOYSA-N

Compound name

3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 134.03677 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]+	135.04405	113.1
[M+Na]+	157.02599	128.3
[M+NH4]+	152.07059	123.0
[M+K]+	172.99993	126.8
[M-H]-	133.02949	130.6
[M+Na-2H]-	155.01144	125.5
[M]+	134.03622	122.4
[M]-	134.03732	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe