CID 12462215

2-(2-methoxy-5-methylphenyl)oxirane

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1=CC(=C(C=C1)OC)C2CO2
InChI
InChI=1S/C10H12O2/c1-7-3-4-9(11-2)8(5-7)10-6-12-10/h3-5,10H,6H2,1-2H3
InChIKey
ZDQIYXDZTYAVFP-UHFFFAOYSA-N
Compound name
2-(2-methoxy-5-methylphenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 132.0
[M+Na]+ 187.072938 142.8
[M-H]- 163.076444 141.0
[M+NH4]+ 182.117543 147.2
[M+K]+ 203.046878 142.1
[M+H-H2O]+ 147.080980 125.6
[M+HCOO]- 209.081921 156.2
[M+CH3COO]- 223.097571 182.5
[M+Na-2H]- 185.058386 139.9
[M]+ 164.08317142 137.7
[M]- 164.08426858 137.7
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

No patent data available for this compound.