CID 16446

1-ethylbiguanide hydrochloride

Structural Information

Molecular Formula

C₄H₁₁N₅

SMILES

CCN=C(N)N=C(N)N

InChI

InChI=1S/C4H11N5/c1-2-8-4(7)9-3(5)6/h2H2,1H3,(H6,5,6,7,8,9)

InChIKey

XWFPIJRFFLYWRN-UHFFFAOYSA-N

Compound name

1-(diaminomethylidene)-2-ethylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1706
Patents: 129.10144 Da
Monoisotopic Mass: -1.5
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]+	130.10872	127.1
[M+Na]+	152.09066	132.1
[M-H]-	128.09416	129.1
[M+NH4]+	147.13526	148.0
[M+K]+	168.06460	132.9
[M+H-H2O]+	112.09870	120.3
[M+HCOO]-	174.09964	155.9
[M+CH3COO]-	188.11529	187.3
[M+Na-2H]-	150.07611	131.4
[M]+	129.10089	121.3
[M]-	129.10199	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe