CID 10735

N,n-diethylisonicotinamide

Structural Information

Molecular Formula
C10H14N2O
SMILES
CCN(CC)C(=O)C1=CC=NC=C1
InChI
InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-5-7-11-8-6-9/h5-8H,3-4H2,1-2H3
InChIKey
CDQAJSRQKGFYDY-UHFFFAOYSA-N
Compound name
N,N-diethylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

63
Patents

178.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.4
[M+Na]+ 201.09983 145.8
[M-H]- 177.10333 142.9
[M+NH4]+ 196.14443 158.5
[M+K]+ 217.07377 145.3
[M+H-H2O]+ 161.10787 132.1
[M+HCOO]- 223.10881 163.4
[M+CH3COO]- 237.12446 186.6
[M+Na-2H]- 199.08528 145.6
[M]+ 178.11006 140.8
[M]- 178.11116 140.8
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.