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

6
Patents

148.08882 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 127.9
[M+Na]+ 171.07804 138.8
[M-H]- 147.08154 137.0
[M+NH4]+ 166.12264 143.8
[M+K]+ 187.05198 137.7
[M+H-H2O]+ 131.08608 121.7
[M+HCOO]- 193.08702 151.9
[M+CH3COO]- 207.10267 180.5
[M+Na-2H]- 169.06349 135.9
[M]+ 148.08827 132.1
[M]- 148.08937 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