CID 12296758

2-(dimethylamino)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C8H9N3
SMILES
CN(C)C1=C(C=CC=N1)C#N
InChI
InChI=1S/C8H9N3/c1-11(2)8-7(6-9)4-3-5-10-8/h3-5H,1-2H3
InChIKey
AGKVQTZVCHITEU-UHFFFAOYSA-N
Compound name
2-(dimethylamino)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

147.07965 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 129.9
[M+Na]+ 170.06887 139.5
[M-H]- 146.07237 133.0
[M+NH4]+ 165.11347 148.1
[M+K]+ 186.04281 138.2
[M+H-H2O]+ 130.07691 116.4
[M+HCOO]- 192.07785 151.0
[M+CH3COO]- 206.09350 193.9
[M+Na-2H]- 168.05432 136.9
[M]+ 147.07910 125.4
[M]- 147.08020 125.4
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

patents stripe