CID 10358234

Chembl105338

Structural Information

Molecular Formula

C₁₇H₃₉N₅

SMILES

C(CCCCNCCCCCCCCN=C(N)N)CCCN

InChI

InChI=1S/C17H39N5/c18-13-9-5-1-2-6-10-14-21-15-11-7-3-4-8-12-16-22-17(19)20/h21H,1-16,18H2,(H4,19,20,22)

InChIKey

OARSZFDAQZHDNX-UHFFFAOYSA-N

Compound name

2-[8-(8-aminooctylamino)octyl]guanidine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 0
Patents: 313.32056 Da
Monoisotopic Mass: 2.3
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]+	314.327836	180.8
[M+Na]+	336.309778	179.6
[M-H]-	312.313284	178.7
[M+NH4]+	331.354383	193.6
[M+K]+	352.283718	176.7
[M+H-H2O]+	296.317820	171.6
[M+HCOO]-	358.318761	204.7
[M+CH3COO]-	372.334411	225.6
[M+Na-2H]-	334.295226	179.8
[M]+	313.32001142	179.5
[M]-	313.32110858	179.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.