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]+ 191.10666 140.0
[M+Na]+ 213.08860 146.8
[M-H]- 189.09210 147.2
[M+NH4]+ 208.13320 160.1
[M+K]+ 229.06254 145.8
[M+H-H2O]+ 173.09664 133.8
[M+HCOO]- 235.09758 160.6
[M+CH3COO]- 249.11323 180.9
[M+Na-2H]- 211.07405 147.5
[M]+ 190.09883 137.7
[M]- 190.09993 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.