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-amino-3-pyridinyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

150.07932 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 130.4
[M+Na]+ 173.068538 138.4
[M-H]- 149.072044 132.6
[M+NH4]+ 168.113143 149.9
[M+K]+ 189.042478 136.6
[M+H-H2O]+ 133.076580 124.0
[M+HCOO]- 195.077521 153.9
[M+CH3COO]- 209.093171 178.1
[M+Na-2H]- 171.053986 136.6
[M]+ 150.07877142 129.2
[M]- 150.07986858 129.2
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