CID 105443050

1781435-71-9

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC(C)C1=CC2=C(C=C(N2)C=O)N=C1
InChI
InChI=1S/C11H12N2O/c1-7(2)8-3-11-10(12-5-8)4-9(6-14)13-11/h3-7,13H,1-2H3
InChIKey
JNJVFFGBTPCJEQ-UHFFFAOYSA-N
Compound name
6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 140.0
[M+Na]+ 211.084178 150.5
[M-H]- 187.087684 141.4
[M+NH4]+ 206.128783 159.7
[M+K]+ 227.058118 146.5
[M+H-H2O]+ 171.092220 133.4
[M+HCOO]- 233.093161 161.3
[M+CH3COO]- 247.108811 181.5
[M+Na-2H]- 209.069626 145.6
[M]+ 188.09441142 141.7
[M]- 188.09550858 141.7
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

No patent data available for this compound.