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

13
Patents

134.03677 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.044046 135.7
[M+Na]+ 157.025988 146.1
[M-H]- 133.029494 145.5
[M+NH4]+ 152.070593 144.9
[M+K]+ 172.999928 147.4
[M+H-H2O]+ 117.034030 129.3
[M+HCOO]- 179.034971 155.7
[M+CH3COO]- 193.050621 148.3
[M+Na-2H]- 155.011436 144.6
[M]+ 134.03622142 142.7
[M]- 134.03731858 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe