CID 49762623

1187168-74-6

Structural Information

Molecular Formula
C14H13NO
SMILES
CC1=CC(=CC=C1)C(=O)C2=CC(=NC=C2)C
InChI
InChI=1S/C14H13NO/c1-10-4-3-5-12(8-10)14(16)13-6-7-15-11(2)9-13/h3-9H,1-2H3
InChIKey
WXYZENKQTXRCKG-UHFFFAOYSA-N
Compound name
(3-methylphenyl)-(2-methylpyridin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.09972 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10700 145.8
[M+Na]+ 234.08894 154.4
[M-H]- 210.09244 151.6
[M+NH4]+ 229.13354 163.3
[M+K]+ 250.06288 150.7
[M+H-H2O]+ 194.09698 138.0
[M+HCOO]- 256.09792 168.3
[M+CH3COO]- 270.11357 189.0
[M+Na-2H]- 232.07439 151.4
[M]+ 211.09917 146.3
[M]- 211.10027 146.3
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.