CID 564767

3724-16-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1196
Patents

136.06366 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 126.0
[M+Na]+ 159.052878 133.5
[M-H]- 135.056384 128.0
[M+NH4]+ 154.097483 145.7
[M+K]+ 175.026818 131.9
[M+H-H2O]+ 119.060920 119.5
[M+HCOO]- 181.061861 149.8
[M+CH3COO]- 195.077511 174.0
[M+Na-2H]- 157.038326 133.5
[M]+ 136.06311142 124.1
[M]- 136.06420858 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