CID 83479498

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

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

COC1=NC2=C(CCN2)C=C1

InChI

InChI=1S/C8H10N2O/c1-11-7-3-2-6-4-5-9-8(6)10-7/h2-3H,4-5H2,1H3,(H,9,10)

InChIKey

SEFUFJNUFYWOOC-UHFFFAOYSA-N

Compound name

6-methoxy-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 150.07932 Da
Monoisotopic Mass: 1.5
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]+	151.08660	130.1
[M+Na]+	173.06854	142.2
[M+NH4]+	168.11314	138.9
[M+K]+	189.04248	137.8
[M-H]-	149.07204	130.9
[M+Na-2H]-	171.05399	135.6
[M]+	150.07877	131.9
[M]-	150.07987	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe