CID 15203042

2-(2,4-dimethylphenyl)oxirane

Structural Information

Molecular Formula
C10H12O
SMILES
CC1=CC(=C(C=C1)C2CO2)C
InChI
InChI=1S/C10H12O/c1-7-3-4-9(8(2)5-7)10-6-11-10/h3-5,10H,6H2,1-2H3
InChIKey
YPZGLFAPPDVLFY-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

148.08882 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.096096 127.9
[M+Na]+ 171.078038 138.8
[M-H]- 147.081544 137.0
[M+NH4]+ 166.122643 143.8
[M+K]+ 187.051978 137.7
[M+H-H2O]+ 131.086080 121.7
[M+HCOO]- 193.087021 151.9
[M+CH3COO]- 207.102671 180.5
[M+Na-2H]- 169.063486 135.9
[M]+ 148.08827142 132.1
[M]- 148.08936858 132.1
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