CID 16398

2-methyl-2-phenyloxirane

Structural Information

Molecular Formula
C9H10O
SMILES
CC1(CO1)C2=CC=CC=C2
InChI
InChI=1S/C9H10O/c1-9(7-10-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
MRXPNWXSFCODDY-UHFFFAOYSA-N
Compound name
2-methyl-2-phenyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1290
Patents

134.07317 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 125.2
[M+Na]+ 157.06239 135.4
[M-H]- 133.06589 134.1
[M+NH4]+ 152.10699 142.9
[M+K]+ 173.03633 135.7
[M+H-H2O]+ 117.07043 119.6
[M+HCOO]- 179.07137 149.2
[M+CH3COO]- 193.08702 175.1
[M+Na-2H]- 155.04784 135.9
[M]+ 134.07262 128.6
[M]- 134.07372 128.6
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

No patent data available for this compound.