CID 112040

2-(4-ethenylphenyl)oxirane

Structural Information

Molecular Formula
C10H10O
SMILES
C=CC1=CC=C(C=C1)C2CO2
InChI
InChI=1S/C10H10O/c1-2-8-3-5-9(6-4-8)10-7-11-10/h2-6,10H,1,7H2
InChIKey
DENMIBABNWPFEG-UHFFFAOYSA-N
Compound name
2-(4-ethenylphenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

146.07317 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.080446 127.5
[M+Na]+ 169.062388 137.8
[M-H]- 145.065894 136.2
[M+NH4]+ 164.106993 143.1
[M+K]+ 185.036328 136.2
[M+H-H2O]+ 129.070430 121.1
[M+HCOO]- 191.071371 151.7
[M+CH3COO]- 205.087021 178.7
[M+Na-2H]- 167.047836 136.1
[M]+ 146.07262142 130.6
[M]- 146.07371858 130.6
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