CID 98048

2-(4-methoxyphenyl)oxirane

Structural Information

Molecular Formula
C9H10O2
SMILES
COC1=CC=C(C=C1)C2CO2
InChI
InChI=1S/C9H10O2/c1-10-8-4-2-7(3-5-8)9-6-11-9/h2-5,9H,6H2,1H3
InChIKey
ARHIWOBUUAPVTB-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

343
Patents

150.06808 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 128.0
[M+Na]+ 173.05730 138.4
[M-H]- 149.06080 136.8
[M+NH4]+ 168.10190 143.5
[M+K]+ 189.03124 137.9
[M+H-H2O]+ 133.06534 121.5
[M+HCOO]- 195.06628 152.5
[M+CH3COO]- 209.08193 178.5
[M+Na-2H]- 171.04275 137.1
[M]+ 150.06753 132.9
[M]- 150.06863 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe