CID 120521

2-methyl-6-phenyl-4h-pyran-4-one

Structural Information

Molecular Formula
C12H10O2
SMILES
CC1=CC(=O)C=C(O1)C2=CC=CC=C2
InChI
InChI=1S/C12H10O2/c1-9-7-11(13)8-12(14-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
PEYODCCEJQCEBL-UHFFFAOYSA-N
Compound name
2-methyl-6-phenylpyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

186.06808 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07536 135.6
[M+Na]+ 209.05730 145.5
[M-H]- 185.06080 143.9
[M+NH4]+ 204.10190 154.3
[M+K]+ 225.03124 143.6
[M+H-H2O]+ 169.06534 129.0
[M+HCOO]- 231.06628 160.5
[M+CH3COO]- 245.08193 181.6
[M+Na-2H]- 207.04275 144.4
[M]+ 186.06753 137.6
[M]- 186.06863 137.6
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