CID 25067324

1912-42-1

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC2=C(NC=C2CC(=O)O)N=C1
InChI
InChI=1S/C9H8N2O2/c12-8(13)4-6-5-11-9-7(6)2-1-3-10-9/h1-3,5H,4H2,(H,10,11)(H,12,13)
InChIKey
NQHGQOVKJGGLKE-UHFFFAOYSA-N
Compound name
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

54
Patents

176.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 135.0
[M+Na]+ 199.04780 147.3
[M+NH4]+ 194.09240 142.3
[M+K]+ 215.02174 143.9
[M-H]- 175.05130 134.6
[M+Na-2H]- 197.03325 140.4
[M]+ 176.05803 136.4
[M]- 176.05913 136.4
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