CID 49759028

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

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC1=C(C2=C(N1)N=CC=C2)C=O
InChI
InChI=1S/C9H8N2O/c1-6-8(5-12)7-3-2-4-10-9(7)11-6/h2-5H,1H3,(H,10,11)
InChIKey
DXESDXYYNGHALB-UHFFFAOYSA-N
Compound name
2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

160.06366 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 130.2
[M+Na]+ 183.05288 141.9
[M-H]- 159.05638 131.9
[M+NH4]+ 178.09748 151.2
[M+K]+ 199.02682 137.9
[M+H-H2O]+ 143.06092 123.9
[M+HCOO]- 205.06186 153.3
[M+CH3COO]- 219.07751 144.7
[M+Na-2H]- 181.03833 138.2
[M]+ 160.06311 131.9
[M]- 160.06421 131.9
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