CID 418996

3-aminopropanimidamide dihydrochloride

Structural Information

Molecular Formula

C₃H₉N₃

SMILES

C(CN)C(=N)N

InChI

InChI=1S/C3H9N3/c4-2-1-3(5)6/h1-2,4H2,(H3,5,6)

InChIKey

XYRCNNXBVRSLLL-UHFFFAOYSA-N

Compound name

3-aminopropanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 87.07965 Da
Monoisotopic Mass: -1.8
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]+	88.086926	116.1
[M+Na]+	110.06887	123.4
[M+NH4]+	105.11347	123.6
[M+K]+	126.04281	119.6
[M-H]-	86.072374	116.6
[M+Na-2H]-	108.05432	119.5
[M]+	87.079101	116.7
[M]-	87.080199	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe