CID 24698969

3-(1h-imidazol-1-yl)propanimidamide dihydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₄

SMILES

C1=CN(C=N1)CCC(=N)N

InChI

InChI=1S/C6H10N4/c7-6(8)1-3-10-4-2-9-5-10/h2,4-5H,1,3H2,(H3,7,8)

InChIKey

MBQJTTFODAWVHM-UHFFFAOYSA-N

Compound name

3-imidazol-1-ylpropanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 138.09055 Da
Monoisotopic Mass: -1.1
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]+	139.097826	128.0
[M+Na]+	161.079768	134.8
[M-H]-	137.083274	128.5
[M+NH4]+	156.124373	147.7
[M+K]+	177.053708	133.2
[M+H-H2O]+	121.087810	120.3
[M+HCOO]-	183.088751	152.3
[M+CH3COO]-	197.104401	176.7
[M+Na-2H]-	159.065216	133.9
[M]+	138.09000142	124.7
[M]-	138.09109858	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe