CID 639512

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

Structural Information

Molecular Formula

C₉H₈N₂O₂

SMILES

COC1=NC2=C(C=C1)NC=C2C=O

InChI

InChI=1S/C9H8N2O2/c1-13-8-3-2-7-9(11-8)6(5-12)4-10-7/h2-5,10H,1H3

InChIKey

ZRLKALRMNIQSGC-UHFFFAOYSA-N

Compound name

5-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 176.05858 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	177.06586	134.4
[M+Na]+	199.04780	148.1
[M+NH4]+	194.09240	142.3
[M+K]+	215.02174	143.7
[M-H]-	175.05130	134.9
[M+Na-2H]-	197.03325	140.6
[M]+	176.05803	136.4
[M]-	176.05913	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe