CID 55263345

2445750-20-7

Structural Information

Molecular Formula

C₈H₉N₃

SMILES

C[C@H](C1=NC=CC(=C1)C#N)N

InChI

InChI=1S/C8H9N3/c1-6(10)8-4-7(5-9)2-3-11-8/h2-4,6H,10H2,1H3/t6-/m1/s1

InChIKey

XMFZFNMSHBTSHV-ZCFIWIBFSA-N

Compound name

2-[(1R)-1-aminoethyl]pyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 147.07965 Da
Monoisotopic Mass: -0.3
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]+	148.08693	133.9
[M+Na]+	170.06887	145.4
[M+NH4]+	165.11347	138.7
[M+K]+	186.04281	136.6
[M-H]-	146.07237	128.7
[M+Na-2H]-	168.05432	138.1
[M]+	147.07910	133.1
[M]-	147.08020	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe