CID 58265028

2825005-10-3

Structural Information

Molecular Formula
C10H11N3O2
SMILES
C1=CN=CC2=C1C(=CN2)CC(C(=O)O)N
InChI
InChI=1S/C10H11N3O2/c11-8(10(14)15)3-6-4-13-9-5-12-2-1-7(6)9/h1-2,4-5,8,13H,3,11H2,(H,14,15)
InChIKey
IJMJEEWBYMCJQL-UHFFFAOYSA-N
Compound name
2-amino-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

205.08513 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 142.9
[M+Na]+ 228.07435 153.1
[M+NH4]+ 223.11895 149.3
[M+K]+ 244.04829 151.0
[M-H]- 204.07785 142.4
[M+Na-2H]- 226.05980 147.0
[M]+ 205.08458 143.8
[M]- 205.08568 143.8
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