CID 64087797

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

Structural Information

Molecular Formula
C8H10N2O
SMILES
CCC(=O)C1=C(C=CN=C1)N
InChI
InChI=1S/C8H10N2O/c1-2-8(11)6-5-10-4-3-7(6)9/h3-5H,2H2,1H3,(H2,9,10)
InChIKey
LLEDKGNRAVIHNF-UHFFFAOYSA-N
Compound name
1-(4-aminopyridin-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

150.07932 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 130.7
[M+Na]+ 173.06854 142.7
[M+NH4]+ 168.11314 138.6
[M+K]+ 189.04248 137.1
[M-H]- 149.07204 132.4
[M+Na-2H]- 171.05399 137.3
[M]+ 150.07877 132.7
[M]- 150.07987 132.7
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