CID 64103907

2-methyl-2-phenyloxan-4-one

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1(CC(=O)CCO1)C2=CC=CC=C2
InChI
InChI=1S/C12H14O2/c1-12(9-11(13)7-8-14-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey
ZDDGZZXYWLEFHS-UHFFFAOYSA-N
Compound name
2-methyl-2-phenyloxan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 140.0
[M+Na]+ 213.088598 146.8
[M-H]- 189.092104 147.2
[M+NH4]+ 208.133203 160.1
[M+K]+ 229.062538 145.8
[M+H-H2O]+ 173.096640 133.8
[M+HCOO]- 235.097581 160.6
[M+CH3COO]- 249.113231 180.9
[M+Na-2H]- 211.074046 147.5
[M]+ 190.09883142 137.7
[M]- 190.09992858 137.7
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.