CID 202356

1,1-tetramethylenebiguanide hydrochloride

Structural Information

Molecular Formula

C₆H₁₃N₅

SMILES

C1CCN(C1)C(=N)N=C(N)N

InChI

InChI=1S/C6H13N5/c7-5(8)10-6(9)11-3-1-2-4-11/h1-4H2,(H5,7,8,9,10)

InChIKey

TUOOWPGKBKCOHX-UHFFFAOYSA-N

Compound name

N-(diaminomethylidene)pyrrolidine-1-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 155.1171 Da
Monoisotopic Mass: -0.8
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]+	156.12438	134.6
[M+Na]+	178.10632	139.2
[M+NH4]+	173.15092	141.1
[M+K]+	194.08026	138.0
[M-H]-	154.10982	136.0
[M+Na-2H]-	176.09177	137.4
[M]+	155.11655	134.8
[M]-	155.11765	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe