CID 55086805

1-(3-methylphenyl)-3-(pyridin-3-yl)propan-2-one

Structural Information

Molecular Formula
C15H15NO
SMILES
CC1=CC(=CC=C1)CC(=O)CC2=CN=CC=C2
InChI
InChI=1S/C15H15NO/c1-12-4-2-5-13(8-12)9-15(17)10-14-6-3-7-16-11-14/h2-8,11H,9-10H2,1H3
InChIKey
GDYBAGYZRWPQEK-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)-3-pyridin-3-ylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11537 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 151.0
[M+Na]+ 248.10459 158.1
[M-H]- 224.10809 156.1
[M+NH4]+ 243.14919 167.5
[M+K]+ 264.07853 154.2
[M+H-H2O]+ 208.11263 142.7
[M+HCOO]- 270.11357 173.1
[M+CH3COO]- 284.12922 190.8
[M+Na-2H]- 246.09004 156.7
[M]+ 225.11482 151.4
[M]- 225.11592 151.4
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.