CID 101962

Imiphos

Structural Information

Molecular Formula

C₈H₁₆N₃OPS

SMILES

CC1N(CCS1)P(=O)(N2CC2)N3CC3

InChI

InChI=1S/C8H16N3OPS/c1-8-11(6-7-14-8)13(12,9-2-3-9)10-4-5-10/h8H,2-7H2,1H3

InChIKey

FJYYWRQKUXJNMW-UHFFFAOYSA-N

Compound name

3-[bis(aziridin-1-yl)phosphoryl]-2-methyl-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 70
Patents: 233.07516 Da
Monoisotopic Mass: 0.6
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]+	234.08244	137.8
[M+Na]+	256.06438	148.1
[M+NH4]+	251.10898	145.3
[M+K]+	272.03832	147.5
[M-H]-	232.06788	150.5
[M+Na-2H]-	254.04983	146.8
[M]+	233.07461	144.9
[M]-	233.07571	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe