CID 3778233

84200-07-7

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1=CN=CC=C1CCC(=O)N
InChI
InChI=1S/C8H10N2O/c9-8(11)2-1-7-3-5-10-6-4-7/h3-6H,1-2H2,(H2,9,11)
InChIKey
FLDCAFAKYCVBLK-UHFFFAOYSA-N
Compound name
3-pyridin-4-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

150.07932 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 130.7
[M+Na]+ 173.06854 137.7
[M-H]- 149.07204 132.4
[M+NH4]+ 168.11314 149.8
[M+K]+ 189.04248 135.8
[M+H-H2O]+ 133.07658 123.9
[M+HCOO]- 195.07752 154.1
[M+CH3COO]- 209.09317 177.0
[M+Na-2H]- 171.05399 137.5
[M]+ 150.07877 129.0
[M]- 150.07987 129.0
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

No patent data available for this compound.