CID 5078674

2-(pyridin-4-yl)ethanimidamide trihydrochloride

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

C1=CN=CC=C1CC(=N)N

InChI

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

InChIKey

KOVWXARDLSTZLR-UHFFFAOYSA-N

Compound name

2-pyridin-4-ylethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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]+	136.086926	126.7
[M+Na]+	158.068868	133.4
[M-H]-	134.072374	128.6
[M+NH4]+	153.113473	146.1
[M+K]+	174.042808	131.2
[M+H-H2O]+	118.076910	119.9
[M+HCOO]-	180.077851	151.3
[M+CH3COO]-	194.093501	176.9
[M+Na-2H]-	156.054316	134.5
[M]+	135.07910142	122.6
[M]-	135.08019858	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe