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

1334
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

literature stripe

Patent stripe

patents stripe