CID 13350836

3-aminopyridine-2-butyronitrile

Structural Information

Molecular Formula
C9H11N3
SMILES
C1=CC(=C(N=C1)CCCC#N)N
InChI
InChI=1S/C9H11N3/c10-6-2-1-5-9-8(11)4-3-7-12-9/h3-4,7H,1-2,5,11H2
InChIKey
DYBCZGAECZNGOJ-UHFFFAOYSA-N
Compound name
4-(3-amino-2-pyridinyl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

161.09529 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 134.6
[M+Na]+ 184.084508 143.7
[M-H]- 160.088014 135.8
[M+NH4]+ 179.129113 151.5
[M+K]+ 200.058448 140.8
[M+H-H2O]+ 144.092550 121.2
[M+HCOO]- 206.093491 154.4
[M+CH3COO]- 220.109141 192.8
[M+Na-2H]- 182.069956 140.9
[M]+ 161.09474142 128.5
[M]- 161.09583858 128.5
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