CID 21507395

4-aminobutanimidamide dihydrochloride

Structural Information

Molecular Formula

C₄H₁₁N₃

SMILES

C(CC(=N)N)CN

InChI

InChI=1S/C4H11N3/c5-3-1-2-4(6)7/h1-3,5H2,(H3,6,7)

InChIKey

RKOPOQDWXOQCAB-UHFFFAOYSA-N

Compound name

4-aminobutanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
Patents: 101.0953 Da
Monoisotopic Mass: -1.4
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]+	102.102576	121.1
[M+Na]+	124.084518	126.6
[M-H]-	100.088024	120.6
[M+NH4]+	119.129123	142.7
[M+K]+	140.058458	125.9
[M+H-H2O]+	84.092560	115.7
[M+HCOO]-	146.093501	146.4
[M+CH3COO]-	160.109151	174.4
[M+Na-2H]-	122.069966	126.3
[M]+	101.09475142	115.7
[M]-	101.09584858	115.7

Literature stripe

literature stripe

Patent stripe

patents stripe