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]+ 165.09100 132.0
[M+Na]+ 187.07294 142.8
[M-H]- 163.07644 141.0
[M+NH4]+ 182.11754 147.2
[M+K]+ 203.04688 142.1
[M+H-H2O]+ 147.08098 125.6
[M+HCOO]- 209.08192 156.2
[M+CH3COO]- 223.09757 182.5
[M+Na-2H]- 185.05839 139.9
[M]+ 164.08317 137.7
[M]- 164.08427 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.