CID 58402

1,5-dibutylbiguanide hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₃N₅

SMILES

CCCCN=C(N)NC(=NCCCC)N

InChI

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

InChIKey

OOXNYFNNOQFVBR-UHFFFAOYSA-N

Compound name

2-butyl-1-(N'-butylcarbamimidoyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 213.19534 Da
Monoisotopic Mass: 0.9
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	154.4
[M+Na]+	236.18456	158.5
[M+NH4]+	231.22916	160.0
[M+K]+	252.15850	154.0
[M-H]-	212.18806	155.6
[M+Na-2H]-	234.17001	156.0
[M]+	213.19479	154.5
[M]-	213.19589	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe