CID 54595024

2-amino-5h,6h,7h-cyclopenta[b]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1CC2=CC(=C(N=C2C1)N)C(=O)O
InChI
InChI=1S/C9H10N2O2/c10-8-6(9(12)13)4-5-2-1-3-7(5)11-8/h4H,1-3H2,(H2,10,11)(H,12,13)
InChIKey
PMRJJSHCLCZUSH-UHFFFAOYSA-N
Compound name
2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

178.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 135.8
[M+Na]+ 201.06345 144.0
[M-H]- 177.06695 137.6
[M+NH4]+ 196.10805 156.3
[M+K]+ 217.03739 141.2
[M+H-H2O]+ 161.07149 129.9
[M+HCOO]- 223.07243 156.8
[M+CH3COO]- 237.08808 179.7
[M+Na-2H]- 199.04890 140.1
[M]+ 178.07368 133.1
[M]- 178.07478 133.1
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