CID 21907105

2402831-16-5

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1CNC2=C1C=C(C=N2)C(=O)O
InChI
InChI=1S/C8H8N2O2/c11-8(12)6-3-5-1-2-9-7(5)10-4-6/h3-4H,1-2H2,(H,9,10)(H,11,12)
InChIKey
AZURZTXEHXPEED-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

164.05858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 132.6
[M+Na]+ 187.047798 140.8
[M-H]- 163.051304 131.9
[M+NH4]+ 182.092403 151.9
[M+K]+ 203.021738 137.7
[M+H-H2O]+ 147.055840 126.3
[M+HCOO]- 209.056781 150.7
[M+CH3COO]- 223.072431 171.5
[M+Na-2H]- 185.033246 138.1
[M]+ 164.05803142 129.5
[M]- 164.05912858 129.5
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