CID 10307871

5-methoxy-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C8H8N2O
SMILES
COC1=CN=C2C(=C1)C=CN2
InChI
InChI=1S/C8H8N2O/c1-11-7-4-6-2-3-9-8(6)10-5-7/h2-5H,1H3,(H,9,10)
InChIKey
AFUFCCUQHGSNAN-UHFFFAOYSA-N
Compound name
5-methoxy-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

446
Patents

148.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 126.5
[M+Na]+ 171.052878 137.4
[M-H]- 147.056384 127.9
[M+NH4]+ 166.097483 147.7
[M+K]+ 187.026818 134.3
[M+H-H2O]+ 131.060920 120.0
[M+HCOO]- 193.061861 149.8
[M+CH3COO]- 207.077511 141.0
[M+Na-2H]- 169.038326 135.8
[M]+ 148.06311142 128.1
[M]- 148.06420858 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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