CID 82410976

2-{1h-pyrrolo[2,3-b]pyridin-2-yl}acetic acid

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC2=C(NC(=C2)CC(=O)O)N=C1
InChI
InChI=1S/C9H8N2O2/c12-8(13)5-7-4-6-2-1-3-10-9(6)11-7/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKey
GRCBXEQMYKQVJH-UHFFFAOYSA-N
Compound name
2-(1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

176.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 134.3
[M+Na]+ 199.047798 144.1
[M-H]- 175.051304 134.3
[M+NH4]+ 194.092403 153.4
[M+K]+ 215.021738 140.3
[M+H-H2O]+ 159.055840 127.9
[M+HCOO]- 221.056781 155.0
[M+CH3COO]- 235.072431 173.9
[M+Na-2H]- 197.033246 141.3
[M]+ 176.05803142 134.5
[M]- 176.05912858 134.5
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