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]+ 179.081506 135.8
[M+Na]+ 201.063448 144.0
[M-H]- 177.066954 137.6
[M+NH4]+ 196.108053 156.3
[M+K]+ 217.037388 141.2
[M+H-H2O]+ 161.071490 129.9
[M+HCOO]- 223.072431 156.8
[M+CH3COO]- 237.088081 179.7
[M+Na-2H]- 199.048896 140.1
[M]+ 178.07368142 133.1
[M]- 178.07477858 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