CID 24701445

6-(ethylamino)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C8H9N3
SMILES
CCNC1=NC=C(C=C1)C#N
InChI
InChI=1S/C8H9N3/c1-2-10-8-4-3-7(5-9)6-11-8/h3-4,6H,2H2,1H3,(H,10,11)
InChIKey
MVJDUNKELBBNKM-UHFFFAOYSA-N
Compound name
6-(ethylamino)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

147.07965 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 129.9
[M+Na]+ 170.06887 139.4
[M-H]- 146.07237 131.7
[M+NH4]+ 165.11347 147.6
[M+K]+ 186.04281 137.0
[M+H-H2O]+ 130.07691 116.7
[M+HCOO]- 192.07785 150.6
[M+CH3COO]- 206.09350 190.7
[M+Na-2H]- 168.05432 137.6
[M]+ 147.07910 124.4
[M]- 147.08020 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe