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

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

literature stripe

Patent stripe

patents stripe