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]+ 226.122646 151.0
[M+Na]+ 248.104588 158.1
[M-H]- 224.108094 156.1
[M+NH4]+ 243.149193 167.5
[M+K]+ 264.078528 154.2
[M+H-H2O]+ 208.112630 142.7
[M+HCOO]- 270.113571 173.1
[M+CH3COO]- 284.129221 190.8
[M+Na-2H]- 246.090036 156.7
[M]+ 225.11482142 151.4
[M]- 225.11591858 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.