CID 13157358

88745-30-6

Structural Information

Molecular Formula
C9H9N3
SMILES
C1CC2=CN=C(C(=C2C1)C#N)N
InChI
InChI=1S/C9H9N3/c10-4-8-7-3-1-2-6(7)5-12-9(8)11/h5H,1-3H2,(H2,11,12)
InChIKey
WYFHCOSNNVXURT-UHFFFAOYSA-N
Compound name
3-amino-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

159.07965 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe