CID 55255549

2287344-39-0

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1CNC2=C1C=C(C=N2)C=O
InChI
InChI=1S/C8H8N2O/c11-5-6-3-7-1-2-9-8(7)10-4-6/h3-5H,1-2H2,(H,9,10)
InChIKey
WDCDJISBMKFULP-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

148.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 128.7
[M+Na]+ 171.05288 137.7
[M-H]- 147.05638 129.2
[M+NH4]+ 166.09748 149.5
[M+K]+ 187.02682 134.5
[M+H-H2O]+ 131.06092 122.1
[M+HCOO]- 193.06186 149.1
[M+CH3COO]- 207.07751 142.0
[M+Na-2H]- 169.03833 135.8
[M]+ 148.06311 126.6
[M]- 148.06421 126.6
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