CID 53403049

1-(6-methylpyridin-3-yl)propan-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

149.08406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 129.6
[M+Na]+ 172.073278 138.1
[M-H]- 148.076784 132.2
[M+NH4]+ 167.117883 149.9
[M+K]+ 188.047218 136.6
[M+H-H2O]+ 132.081320 123.5
[M+HCOO]- 194.082261 152.4
[M+CH3COO]- 208.097911 177.1
[M+Na-2H]- 170.058726 136.2
[M]+ 149.08351142 130.6
[M]- 149.08460858 130.6
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