CID 55288212

3-(pyridin-3-ylamino)propanenitrile

Structural Information

Molecular Formula
C8H9N3
SMILES
C1=CC(=CN=C1)NCCC#N
InChI
InChI=1S/C8H9N3/c9-4-2-6-11-8-3-1-5-10-7-8/h1,3,5,7,11H,2,6H2
InChIKey
BUMNKYJITTZEJV-UHFFFAOYSA-N
Compound name
3-(pyridin-3-ylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

147.07965 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 134.9
[M+Na]+ 170.06887 146.6
[M+NH4]+ 165.11347 139.9
[M+K]+ 186.04281 136.6
[M-H]- 146.07237 129.9
[M+Na-2H]- 168.05432 139.9
[M]+ 147.07910 134.2
[M]- 147.08020 134.2
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