CID 24728893

1h-pyrrolo[2,3-b]pyridine-6-carbaldehyde

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC(=NC2=C1C=CN2)C=O
InChI
InChI=1S/C8H6N2O/c11-5-7-2-1-6-3-4-9-8(6)10-7/h1-5H,(H,9,10)
InChIKey
WHWVDVTZWYOMOI-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,3-b]pyridine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

146.04802 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05530 126.6
[M+Na]+ 169.03724 140.6
[M+NH4]+ 164.08184 135.2
[M+K]+ 185.01118 135.8
[M-H]- 145.04074 127.5
[M+Na-2H]- 167.02269 133.8
[M]+ 146.04747 128.8
[M]- 146.04857 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe