CID 22477426

1h-pyrrolo[2,3-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CNC2=NC=CC(=C21)C(=O)O
InChI
InChI=1S/C8H6N2O2/c11-8(12)6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)(H,11,12)
InChIKey
HPPPHDPVSYYWCH-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

162.04292 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05020 129.7
[M+Na]+ 185.03214 139.9
[M-H]- 161.03564 129.8
[M+NH4]+ 180.07674 149.3
[M+K]+ 201.00608 136.4
[M+H-H2O]+ 145.04018 123.4
[M+HCOO]- 207.04112 150.7
[M+CH3COO]- 221.05677 143.2
[M+Na-2H]- 183.01759 137.2
[M]+ 162.04237 129.5
[M]- 162.04347 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