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

8
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 134.3
[M+Na]+ 199.04780 144.1
[M-H]- 175.05130 134.3
[M+NH4]+ 194.09240 153.4
[M+K]+ 215.02174 140.3
[M+H-H2O]+ 159.05584 127.9
[M+HCOO]- 221.05678 155.0
[M+CH3COO]- 235.07243 173.9
[M+Na-2H]- 197.03325 141.3
[M]+ 176.05803 134.5
[M]- 176.05913 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