CID 58400

1,1-dibutylbiguanide hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₃N₅

SMILES

CCCCN(CCCC)C(=N)N=C(N)N

InChI

InChI=1S/C10H23N5/c1-3-5-7-15(8-6-4-2)10(13)14-9(11)12/h3-8H2,1-2H3,(H5,11,12,13,14)

InChIKey

DRFIDKXKHBUJDB-UHFFFAOYSA-N

Compound name

1,1-dibutyl-3-(diaminomethylidene)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 213.19534 Da
Monoisotopic Mass: 1.2
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]+	214.20262	155.1
[M+Na]+	236.18456	158.9
[M+NH4]+	231.22916	160.5
[M+K]+	252.15850	155.1
[M-H]-	212.18806	156.1
[M+Na-2H]-	234.17001	156.3
[M]+	213.19479	155.1
[M]-	213.19589	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe