CID 46397587

5,6,7,8-tetrahydro-1,5-naphthyridine-2-carbonitrile

Structural Information

Molecular Formula
C9H9N3
SMILES
C1CC2=C(C=CC(=N2)C#N)NC1
InChI
InChI=1S/C9H9N3/c10-6-7-3-4-8-9(12-7)2-1-5-11-8/h3-4,11H,1-2,5H2
InChIKey
YGYLLYDTWSIIGT-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-1,5-naphthyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

159.07965 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 132.3
[M+Na]+ 182.06887 141.7
[M-H]- 158.07237 131.6
[M+NH4]+ 177.11347 148.6
[M+K]+ 198.04281 136.4
[M+H-H2O]+ 142.07691 118.6
[M+HCOO]- 204.07785 146.6
[M+CH3COO]- 218.09350 142.9
[M+Na-2H]- 180.05432 140.0
[M]+ 159.07910 122.9
[M]- 159.08020 122.9
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