CID 22030722

1h-pyrrolo[2,3-b]pyridin-5-ol

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CNC2=NC=C(C=C21)O
InChI
InChI=1S/C7H6N2O/c10-6-3-5-1-2-8-7(5)9-4-6/h1-4,10H,(H,8,9)
InChIKey
VUQZKLXKFUBWRP-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,3-b]pyridin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

302
Patents

134.04802 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 123.0
[M+Na]+ 157.03724 136.7
[M+NH4]+ 152.08184 131.7
[M+K]+ 173.01118 132.4
[M-H]- 133.04074 123.7
[M+Na-2H]- 155.02269 130.0
[M]+ 134.04747 125.0
[M]- 134.04857 125.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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