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]+ 160.086926 132.3
[M+Na]+ 182.068868 141.7
[M-H]- 158.072374 131.6
[M+NH4]+ 177.113473 148.6
[M+K]+ 198.042808 136.4
[M+H-H2O]+ 142.076910 118.6
[M+HCOO]- 204.077851 146.6
[M+CH3COO]- 218.093501 142.9
[M+Na-2H]- 180.054316 140.0
[M]+ 159.07910142 122.9
[M]- 159.08019858 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