CID 21873680

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

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC2=C(NC(=C2)C=O)N=C1
InChI
InChI=1S/C8H6N2O/c11-5-7-4-6-2-1-3-9-8(6)10-7/h1-5H,(H,9,10)
InChIKey
ATTNRYFIYJHUOG-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
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 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

No literature data available for this compound.

Patent stripe

patents stripe