CID 22326237

1803560-72-6

Structural Information

Molecular Formula
C10H11N3O2
SMILES
C1=CC2=C(C(=CN2)CC(C(=O)O)N)N=C1
InChI
InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)
InChIKey
FICCYWIDRZLXIS-UHFFFAOYSA-N
Compound name
2-amino-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

205.08513 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 142.9
[M+Na]+ 228.07435 151.0
[M-H]- 204.07785 142.3
[M+NH4]+ 223.11895 160.1
[M+K]+ 244.04829 147.2
[M+H-H2O]+ 188.08239 136.0
[M+HCOO]- 250.08333 162.7
[M+CH3COO]- 264.09898 182.3
[M+Na-2H]- 226.05980 147.7
[M]+ 205.08458 141.1
[M]- 205.08568 141.1
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

patents stripe