CID 601206

2-[(3,5-dimethylphenoxy)methyl]oxirane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

178.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 136.4
[M+Na]+ 201.088598 146.8
[M-H]- 177.092104 145.3
[M+NH4]+ 196.133203 151.1
[M+K]+ 217.062538 145.8
[M+H-H2O]+ 161.096640 129.8
[M+HCOO]- 223.097581 160.2
[M+CH3COO]- 237.113231 185.4
[M+Na-2H]- 199.074046 143.7
[M]+ 178.09883142 142.4
[M]- 178.09992858 142.4
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