CID 54595312

5-cyano-n,n-dimethylpyridine-2-carboxamide

Structural Information

Molecular Formula
C9H9N3O
SMILES
CN(C)C(=O)C1=NC=C(C=C1)C#N
InChI
InChI=1S/C9H9N3O/c1-12(2)9(13)8-4-3-7(5-10)6-11-8/h3-4,6H,1-2H3
InChIKey
AKSXADYDAQVBMV-UHFFFAOYSA-N
Compound name
5-cyano-N,N-dimethylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 137.8
[M+Na]+ 198.063768 147.0
[M-H]- 174.067274 140.8
[M+NH4]+ 193.108373 154.8
[M+K]+ 214.037708 145.9
[M+H-H2O]+ 158.071810 124.0
[M+HCOO]- 220.072751 158.0
[M+CH3COO]- 234.088401 197.8
[M+Na-2H]- 196.049216 143.0
[M]+ 175.07400142 133.6
[M]- 175.07509858 133.6
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.