CID 25090724

Dtxsid401008346

Structural Information

Molecular Formula
C9H7N3
SMILES
C1C2=CC(=NC=C2C=C1N)C#N
InChI
InChI=1S/C9H7N3/c10-4-9-3-6-1-8(11)2-7(6)5-12-9/h2-3,5H,1,11H2
InChIKey
ZIYOPYJFBXGNFG-UHFFFAOYSA-N
Compound name
6-amino-5H-cyclopenta[c]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.064 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.071276 134.2
[M+Na]+ 180.053218 146.0
[M-H]- 156.056724 136.6
[M+NH4]+ 175.097823 154.0
[M+K]+ 196.027158 141.0
[M+H-H2O]+ 140.061260 121.2
[M+HCOO]- 202.062201 154.6
[M+CH3COO]- 216.077851 146.7
[M+Na-2H]- 178.038666 140.2
[M]+ 157.06345142 128.1
[M]- 157.06454858 128.1
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.