CID 96272

Hexaphosphamide

Structural Information

Molecular Formula

C₁₀H₂₀N₃PS

SMILES

C1CCC(CC1)NP(=S)(N2CC2)N3CC3

InChI

InChI=1S/C10H20N3PS/c15-14(12-6-7-12,13-8-9-13)11-10-4-2-1-3-5-10/h10H,1-9H2,(H,11,15)

InChIKey

RDAHFZJUOCJYHC-UHFFFAOYSA-N

Compound name

N-[bis(aziridin-1-yl)phosphinothioyl]cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 4
Patents: 245.11156 Da
Monoisotopic Mass: 2.7
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]+	246.11884	162.7
[M+Na]+	268.10078	166.7
[M-H]-	244.10428	167.3
[M+NH4]+	263.14538	167.0
[M+K]+	284.07472	164.2
[M+H-H2O]+	228.10882	153.0
[M+HCOO]-	290.10976	178.6
[M+CH3COO]-	304.12541	203.7
[M+Na-2H]-	266.08623	160.6
[M]+	245.11101	162.1
[M]-	245.11211	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe