CID 76847425

2225137-00-6

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1CNC2=C1N=CC(=C2)C(=O)O
InChI
InChI=1S/C8H8N2O2/c11-8(12)5-3-7-6(10-4-5)1-2-9-7/h3-4,9H,1-2H2,(H,11,12)
InChIKey
LDGIHWPCSCAONO-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 133.1
[M+Na]+ 187.04780 143.8
[M+NH4]+ 182.09240 140.5
[M+K]+ 203.02174 141.1
[M-H]- 163.05130 132.4
[M+Na-2H]- 185.03325 137.0
[M]+ 164.05803 134.0
[M]- 164.05913 134.0
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.