CID 131501066

2247107-34-0

Structural Information

Molecular Formula

C₉H₁₀FN₃

SMILES

C1=C(C=NC2=C1C(=CN2)CCN)F

InChI

InChI=1S/C9H10FN3/c10-7-3-8-6(1-2-11)4-12-9(8)13-5-7/h3-5H,1-2,11H2,(H,12,13)

InChIKey

UNDPCLJLAAZLGO-UHFFFAOYSA-N

Compound name

2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 179.08588 Da
Monoisotopic Mass: 0.7
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]+	180.093156	134.3
[M+Na]+	202.075098	144.9
[M-H]-	178.078604	133.9
[M+NH4]+	197.119703	153.9
[M+K]+	218.049038	140.1
[M+H-H2O]+	162.083140	126.6
[M+HCOO]-	224.084081	156.3
[M+CH3COO]-	238.099731	147.4
[M+Na-2H]-	200.060546	141.1
[M]+	179.08533142	132.5
[M]-	179.08642858	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe