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]+ 135.04405 135.7
[M+Na]+ 157.02599 146.1
[M-H]- 133.02949 145.5
[M+NH4]+ 152.07059 144.9
[M+K]+ 172.99993 147.4
[M+H-H2O]+ 117.03403 129.3
[M+HCOO]- 179.03497 155.7
[M+CH3COO]- 193.05062 148.3
[M+Na-2H]- 155.01144 144.6
[M]+ 134.03622 142.7
[M]- 134.03732 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