CID 13302396

Brn 4312169

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

C1CC2=CN=C(C(=C2C1)C(=O)O)N

InChI

InChI=1S/C9H10N2O2/c10-8-7(9(12)13)6-3-1-2-5(6)4-11-8/h4H,1-3H2,(H2,10,11)(H,12,13)

InChIKey

DJWJPHYFDDXSJT-UHFFFAOYSA-N

Compound name

3-amino-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 178.07423 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	179.08151	136.2
[M+Na]+	201.06345	146.3
[M+NH4]+	196.10805	143.9
[M+K]+	217.03739	143.6
[M-H]-	177.06695	136.9
[M+Na-2H]-	199.04890	140.0
[M]+	178.07368	137.4
[M]-	178.07478	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe