CID 76847436

1194869-43-6

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1CNC2=C1N=CC(=C2)CO

InChI

InChI=1S/C8H10N2O/c11-5-6-3-8-7(10-4-6)1-2-9-8/h3-4,9,11H,1-2,5H2

InChIKey

MKPHBWDDAXXGEU-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-6-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 150.07932 Da
Monoisotopic Mass: 0.0
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	130.5
[M+Na]+	173.06854	142.0
[M+NH4]+	168.11314	138.9
[M+K]+	189.04248	137.9
[M-H]-	149.07204	130.7
[M+Na-2H]-	171.05399	135.3
[M]+	150.07877	131.9
[M]-	150.07987	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.