CID 151042

2-(2-methylphenyl)oxirane

Structural Information

Molecular Formula
C9H10O
SMILES
CC1=CC=CC=C1C2CO2
InChI
InChI=1S/C9H10O/c1-7-4-2-3-5-8(7)9-6-10-9/h2-5,9H,6H2,1H3
InChIKey
AUFMIJGTPFQWAN-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

689
Patents

134.07317 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 127.5
[M+Na]+ 157.06239 143.3
[M+NH4]+ 152.10699 138.1
[M+K]+ 173.03633 137.9
[M-H]- 133.06589 139.9
[M+Na-2H]- 155.04784 138.8
[M]+ 134.07262 134.6
[M]- 134.07372 134.6
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