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

59
Patents

146.04802 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.055296 125.6
[M+Na]+ 169.037238 136.8
[M-H]- 145.040744 126.9
[M+NH4]+ 164.081843 146.7
[M+K]+ 185.011178 133.0
[M+H-H2O]+ 129.045280 119.1
[M+HCOO]- 191.046221 149.0
[M+CH3COO]- 205.061871 140.1
[M+Na-2H]- 167.022686 134.8
[M]+ 146.04747142 126.5
[M]- 146.04856858 126.5
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