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

1
Patents

159.07965 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.086926 134.5
[M+Na]+ 182.068868 145.4
[M-H]- 158.072374 136.6
[M+NH4]+ 177.113473 154.2
[M+K]+ 198.042808 140.5
[M+H-H2O]+ 142.076910 121.5
[M+HCOO]- 204.077851 153.6
[M+CH3COO]- 218.093501 146.5
[M+Na-2H]- 180.054316 139.7
[M]+ 159.07910142 127.1
[M]- 159.08019858 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

patents stripe