CID 3749973

2-[(2,6-dimethylphenoxy)methyl]oxirane

Structural Information

Molecular Formula
C11H14O2
SMILES
CC1=C(C(=CC=C1)C)OCC2CO2
InChI
InChI=1S/C11H14O2/c1-8-4-3-5-9(2)11(8)13-7-10-6-12-10/h3-5,10H,6-7H2,1-2H3
InChIKey
VHWHISLSSKROOL-UHFFFAOYSA-N
Compound name
2-[(2,6-dimethylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

178.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 138.4
[M+Na]+ 201.08860 153.7
[M+NH4]+ 196.13320 148.2
[M+K]+ 217.06254 148.5
[M-H]- 177.09210 150.4
[M+Na-2H]- 199.07405 148.6
[M]+ 178.09883 145.3
[M]- 178.09993 145.3
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