CID 13142683

1-(4-methylpyridin-3-yl)propan-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

149.08406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 129.6
[M+Na]+ 172.07328 138.1
[M-H]- 148.07678 132.2
[M+NH4]+ 167.11788 149.9
[M+K]+ 188.04722 136.6
[M+H-H2O]+ 132.08132 123.5
[M+HCOO]- 194.08226 152.4
[M+CH3COO]- 208.09791 177.1
[M+Na-2H]- 170.05873 136.2
[M]+ 149.08351 130.6
[M]- 149.08461 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