CID 435

4-oxo-4-(3-pyridyl)-butanamide

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1=CC(=CN=C1)C(=O)CCC(=O)N
InChI
InChI=1S/C9H10N2O2/c10-9(13)4-3-8(12)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H2,10,13)
InChIKey
DJEKVKGYYASXCW-UHFFFAOYSA-N
Compound name
4-oxo-4-pyridin-3-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

28
Patents

178.07423 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 137.4
[M+Na]+ 201.06345 143.9
[M-H]- 177.06695 139.1
[M+NH4]+ 196.10805 155.2
[M+K]+ 217.03739 142.3
[M+H-H2O]+ 161.07149 130.4
[M+HCOO]- 223.07243 160.0
[M+CH3COO]- 237.08808 182.1
[M+Na-2H]- 199.04890 142.5
[M]+ 178.07368 136.2
[M]- 178.07478 136.2
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