CID 75356053

3-(dimethylamino)pyridine-4-carbonitrile

Structural Information

Molecular Formula
C8H9N3
SMILES
CN(C)C1=C(C=CN=C1)C#N
InChI
InChI=1S/C8H9N3/c1-11(2)8-6-10-4-3-7(8)5-9/h3-4,6H,1-2H3
InChIKey
HEIJVRLSSWPBDG-UHFFFAOYSA-N
Compound name
3-(dimethylamino)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.07965 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 133.1
[M+Na]+ 170.06887 145.4
[M+NH4]+ 165.11347 138.4
[M+K]+ 186.04281 136.1
[M-H]- 146.07237 128.6
[M+Na-2H]- 168.05432 138.3
[M]+ 147.07910 132.7
[M]- 147.08020 132.7
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.