CID 227128

4-pyridineacetamide

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1=CN=CC=C1CC(=O)N
InChI
InChI=1S/C7H8N2O/c8-7(10)5-6-1-3-9-4-2-6/h1-4H,5H2,(H2,8,10)
InChIKey
YEALAJQPOVKTOH-UHFFFAOYSA-N
Compound name
2-pyridin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

548
Patents

136.06366 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 126.0
[M+Na]+ 159.05288 133.5
[M-H]- 135.05638 128.0
[M+NH4]+ 154.09748 145.7
[M+K]+ 175.02682 131.9
[M+H-H2O]+ 119.06092 119.5
[M+HCOO]- 181.06186 149.8
[M+CH3COO]- 195.07751 174.0
[M+Na-2H]- 157.03833 133.5
[M]+ 136.06311 124.1
[M]- 136.06421 124.1
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