CID 152312

2-(3-methylphenyl)oxirane

Structural Information

Molecular Formula
C9H10O
SMILES
CC1=CC(=CC=C1)C2CO2
InChI
InChI=1S/C9H10O/c1-7-3-2-4-8(5-7)9-6-10-9/h2-5,9H,6H2,1H3
InChIKey
HLGUPCNLTKMZDU-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

191
Patents

134.07317 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.080446 124.0
[M+Na]+ 157.062388 134.4
[M-H]- 133.065894 132.8
[M+NH4]+ 152.106993 140.1
[M+K]+ 173.036328 133.7
[M+H-H2O]+ 117.070430 117.7
[M+HCOO]- 179.071371 148.4
[M+CH3COO]- 193.087021 176.6
[M+Na-2H]- 155.047836 133.2
[M]+ 134.07262142 127.4
[M]- 134.07371858 127.4
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