CID 594902

Brn 4312170

Structural Information

Molecular Formula
C9H11N3O
SMILES
C1CC2=CN=C(C(=C2C1)C(=O)N)N
InChI
InChI=1S/C9H11N3O/c10-8-7(9(11)13)6-3-1-2-5(6)4-12-8/h4H,1-3H2,(H2,10,12)(H2,11,13)
InChIKey
XQJDNVDHTQJZJL-UHFFFAOYSA-N
Compound name
3-amino-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 136.3
[M+Na]+ 200.07943 145.8
[M+NH4]+ 195.12403 144.3
[M+K]+ 216.05337 143.0
[M-H]- 176.08293 138.2
[M+Na-2H]- 198.06488 140.4
[M]+ 177.08966 137.8
[M]- 177.09076 137.8
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.