CID 12377259

65242-18-4

Structural Information

Molecular Formula
C9H9N3
SMILES
C1CC2=CC(=C(N=C2C1)N)C#N
InChI
InChI=1S/C9H9N3/c10-5-7-4-6-2-1-3-8(6)12-9(7)11/h4H,1-3H2,(H2,11,12)
InChIKey
CTDPUYLXSONORI-UHFFFAOYSA-N
Compound name
2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.07965 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 134.5
[M+Na]+ 182.06887 145.4
[M-H]- 158.07237 136.6
[M+NH4]+ 177.11347 154.2
[M+K]+ 198.04281 140.5
[M+H-H2O]+ 142.07691 121.5
[M+HCOO]- 204.07785 153.6
[M+CH3COO]- 218.09350 146.5
[M+Na-2H]- 180.05432 139.7
[M]+ 159.07910 127.1
[M]- 159.08020 127.1
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

No patent data available for this compound.