CID 115059

58205-87-1

Structural Information

Molecular Formula

C₁₀H₂₆N₄S₂

SMILES

C(CN)CNCCSSCCNCCCN

InChI

InChI=1S/C10H26N4S2/c11-3-1-5-13-7-9-15-16-10-8-14-6-2-4-12/h13-14H,1-12H2

InChIKey

OOSNVQHPVFTIIV-UHFFFAOYSA-N

Compound name

N'-[2-[2-(3-aminopropylamino)ethyldisulfanyl]ethyl]propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 21
References: 50
Patents: 266.15988 Da
Monoisotopic Mass: -1.1
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]+	267.16716	156.6
[M+Na]+	289.14910	159.9
[M+NH4]+	284.19370	163.1
[M+K]+	305.12304	151.1
[M-H]-	265.15260	157.6
[M+Na-2H]-	287.13455	157.3
[M]+	266.15933	157.6
[M]-	266.16043	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe