CID 76848759

7-amino-1h-pyrrolo[2,3-c]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1=CNC2=C1C(=CN=C2N)C(=O)O
InChI
InChI=1S/C8H7N3O2/c9-7-6-4(1-2-10-6)5(3-11-7)8(12)13/h1-3,10H,(H2,9,11)(H,12,13)
InChIKey
CXNLUOLXWHNQHM-UHFFFAOYSA-N
Compound name
7-amino-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05383 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 133.6
[M+Na]+ 200.04305 143.9
[M-H]- 176.04655 133.6
[M+NH4]+ 195.08765 152.3
[M+K]+ 216.01699 139.9
[M+H-H2O]+ 160.05109 127.2
[M+HCOO]- 222.05203 155.1
[M+CH3COO]- 236.06768 176.6
[M+Na-2H]- 198.02850 139.9
[M]+ 177.05328 132.1
[M]- 177.05438 132.1
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.