CID 7000165

49758-35-2

Structural Information

Molecular Formula
C10H11N3O2
SMILES
C1=CC2=C(NC=C2C[C@@H](C(=O)O)N)N=C1
InChI
InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKey
SNLOIIPRZGMRAB-QMMMGPOBSA-N
Compound name
(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

45
References

1288
Patents

205.08513 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.092406 142.9
[M+Na]+ 228.074348 151.0
[M-H]- 204.077854 142.3
[M+NH4]+ 223.118953 160.1
[M+K]+ 244.048288 147.2
[M+H-H2O]+ 188.082390 136.0
[M+HCOO]- 250.083331 162.7
[M+CH3COO]- 264.098981 182.3
[M+Na-2H]- 226.059796 147.7
[M]+ 205.08458142 141.1
[M]- 205.08567858 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

literature stripe

Patent stripe

patents stripe