CID 5201203

1185294-73-8

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

C1=CC(=CN=C1)CC(=N)N

InChI

InChI=1S/C7H9N3/c8-7(9)4-6-2-1-3-10-5-6/h1-3,5H,4H2,(H3,8,9)

InChIKey

IMXUROAABBBUOI-UHFFFAOYSA-N

Compound name

2-pyridin-3-ylethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 135.07965 Da
Monoisotopic Mass: -0.6
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]+	136.08693	126.7
[M+Na]+	158.06887	133.4
[M-H]-	134.07237	128.6
[M+NH4]+	153.11347	146.1
[M+K]+	174.04281	131.2
[M+H-H2O]+	118.07691	119.9
[M+HCOO]-	180.07785	151.3
[M+CH3COO]-	194.09350	176.9
[M+Na-2H]-	156.05432	134.5
[M]+	135.07910	122.6
[M]-	135.08020	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe