CID 96907

41657-29-8

Structural Information

Molecular Formula

C₁₀H₁₈N₃PS

SMILES

C=CCN(CC=C)P(=S)(N1CC1)N2CC2

InChI

InChI=1S/C10H18N3PS/c1-3-5-11(6-4-2)14(15,12-7-8-12)13-9-10-13/h3-4H,1-2,5-10H2

InChIKey

ONTIXLLIZWKSQB-UHFFFAOYSA-N

Compound name

N-[bis(aziridin-1-yl)phosphinothioyl]-N-prop-2-enylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 243.0959 Da
Monoisotopic Mass: 2.6
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]+	244.10318	136.7
[M+Na]+	266.08512	146.5
[M+NH4]+	261.12972	143.7
[M+K]+	282.05906	144.3
[M-H]-	242.08862	149.1
[M+Na-2H]-	264.07057	145.8
[M]+	243.09535	143.6
[M]-	243.09645	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe