CID 148535

2-(4-methoxyphenyl)-3-methyloxirane

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1C(O1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C10H12O2/c1-7-10(12-7)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3
InChIKey
YUWWNQUBHDXKMT-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-3-methyloxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

23
Patents

164.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 134.5
[M+Na]+ 187.07294 150.0
[M+NH4]+ 182.11754 144.4
[M+K]+ 203.04688 145.0
[M-H]- 163.07644 146.5
[M+Na-2H]- 185.05839 144.8
[M]+ 164.08317 141.4
[M]- 164.08427 141.4
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