CID 12281337

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

Structural Information

Molecular Formula
C9H11NO
SMILES
CC(C)C(=O)C1=CN=CC=C1
InChI
InChI=1S/C9H11NO/c1-7(2)9(11)8-4-3-5-10-6-8/h3-7H,1-2H3
InChIKey
TWDULYDQIGVEKY-UHFFFAOYSA-N
Compound name
2-methyl-1-pyridin-3-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

149.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.4
[M+Na]+ 172.07328 137.6
[M-H]- 148.07678 132.7
[M+NH4]+ 167.11788 150.2
[M+K]+ 188.04722 136.5
[M+H-H2O]+ 132.08132 124.1
[M+HCOO]- 194.08226 152.2
[M+CH3COO]- 208.09791 176.8
[M+Na-2H]- 170.05873 136.4
[M]+ 149.08351 130.3
[M]- 149.08461 130.3
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