CID 45079804

1-(6-methylpyridin-2-yl)propan-1-one

Structural Information

Molecular Formula
C9H11NO
SMILES
CCC(=O)C1=CC=CC(=N1)C
InChI
InChI=1S/C9H11NO/c1-3-9(11)8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3
InChIKey
NPTHNNQFYCAGKP-UHFFFAOYSA-N
Compound name
1-(6-methylpyridin-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

149.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.9
[M+Na]+ 172.07328 144.3
[M+NH4]+ 167.11788 139.4
[M+K]+ 188.04722 137.8
[M-H]- 148.07678 132.6
[M+Na-2H]- 170.05873 138.1
[M]+ 149.08351 133.2
[M]- 149.08461 133.2
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

patents stripe