CID 324215

1h-pyrrolo[2,3-b]pyridin-7-ium-7-olate

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CN(C2=NC=CC2=C1)O
InChI
InChI=1S/C7H6N2O/c10-9-5-1-2-6-3-4-8-7(6)9/h1-5,10H
InChIKey
FAVRAFCMCYLLEI-UHFFFAOYSA-N
Compound name
7-hydroxypyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

808
Patents

134.04802 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 123.2
[M+Na]+ 157.037238 133.5
[M-H]- 133.040744 124.3
[M+NH4]+ 152.081843 144.8
[M+K]+ 173.011178 130.8
[M+H-H2O]+ 117.045280 116.8
[M+HCOO]- 179.046221 145.3
[M+CH3COO]- 193.061871 137.5
[M+Na-2H]- 155.022686 131.9
[M]+ 134.04747142 123.0
[M]- 134.04856858 123.0
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