CID 21230

1-furfurylbiguanide monohydrochloride

Structural Information

Molecular Formula

C₇H₁₁N₅O

SMILES

C1=COC(=C1)CN=C(N)N=C(N)N

InChI

InChI=1S/C7H11N5O/c8-6(9)12-7(10)11-4-5-2-1-3-13-5/h1-3H,4H2,(H6,8,9,10,11,12)

InChIKey

WXIHLCZQQGEOKH-UHFFFAOYSA-N

Compound name

1-(diaminomethylidene)-2-(furan-2-ylmethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 181.09636 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]+	182.103636	139.1
[M+Na]+	204.085578	143.9
[M-H]-	180.089084	144.8
[M+NH4]+	199.130183	158.0
[M+K]+	220.059518	144.5
[M+H-H2O]+	164.093620	130.9
[M+HCOO]-	226.094561	168.6
[M+CH3COO]-	240.110211	194.0
[M+Na-2H]-	202.071026	143.9
[M]+	181.09581142	134.9
[M]-	181.09690858	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe