CID 45117028

27224-27-7

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC2=C(C(=CN2)CC(=O)O)N=C1
InChI
InChI=1S/C9H8N2O2/c12-8(13)4-6-5-11-7-2-1-3-10-9(6)7/h1-3,5,11H,4H2,(H,12,13)
InChIKey
JRQIMQAZVVLLKI-UHFFFAOYSA-N
Compound name
2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

176.05858 Da
Monoisotopic Mass

0.5
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