CID 21963887

1h-pyrrolo[2,3-b]pyridine-4-carbaldehyde

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CNC2=NC=CC(=C21)C=O
InChI
InChI=1S/C8H6N2O/c11-5-6-1-3-9-8-7(6)2-4-10-8/h1-5H,(H,9,10)
InChIKey
IEPOMBHPYZJZNR-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

146.04802 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05530 125.6
[M+Na]+ 169.03724 136.8
[M-H]- 145.04074 126.9
[M+NH4]+ 164.08184 146.7
[M+K]+ 185.01118 133.0
[M+H-H2O]+ 129.04528 119.1
[M+HCOO]- 191.04622 149.0
[M+CH3COO]- 205.06187 140.1
[M+Na-2H]- 167.02269 134.8
[M]+ 146.04747 126.5
[M]- 146.04857 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

literature stripe

Patent stripe

patents stripe