CID 5324369

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

Structural Information

Molecular Formula
C8H8N2O
SMILES
COC1=NC2=C(C=C1)NC=C2
InChI
InChI=1S/C8H8N2O/c1-11-8-3-2-6-7(10-8)4-5-9-6/h2-5,9H,1H3
InChIKey
WTIFEVSWZUSXQL-UHFFFAOYSA-N
Compound name
5-methoxy-1H-pyrrolo[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

307
Patents

148.06366 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 126.5
[M+Na]+ 171.05288 137.4
[M-H]- 147.05638 127.9
[M+NH4]+ 166.09748 147.7
[M+K]+ 187.02682 134.3
[M+H-H2O]+ 131.06092 120.0
[M+HCOO]- 193.06186 149.8
[M+CH3COO]- 207.07751 141.0
[M+Na-2H]- 169.03833 135.8
[M]+ 148.06311 128.1
[M]- 148.06421 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

literature stripe

Patent stripe

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