CID 57345804

32289-58-0

Structural Information

Molecular Formula

C₁₀H₂₃N₅

SMILES

CC(=NCCCCCCNC(=NC)N)N

InChI

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

InChIKey

SAGIGHPRUJPLKX-UHFFFAOYSA-N

Compound name

N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 2
Patents: 213.19534 Da
Monoisotopic Mass: -0.4
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]+	214.202616	153.6
[M+Na]+	236.184558	156.1
[M-H]-	212.188064	155.0
[M+NH4]+	231.229163	171.5
[M+K]+	252.158498	155.9
[M+H-H2O]+	196.192600	145.7
[M+HCOO]-	258.193541	181.2
[M+CH3COO]-	272.209191	206.1
[M+Na-2H]-	234.170006	156.0
[M]+	213.19479142	151.1
[M]-	213.19588858	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe