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]+ 189.10224 140.0
[M+Na]+ 211.08418 150.5
[M-H]- 187.08768 141.4
[M+NH4]+ 206.12878 159.7
[M+K]+ 227.05812 146.5
[M+H-H2O]+ 171.09222 133.4
[M+HCOO]- 233.09316 161.3
[M+CH3COO]- 247.10881 181.5
[M+Na-2H]- 209.06963 145.6
[M]+ 188.09441 141.7
[M]- 188.09551 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.