CID 62432

Morzid

Structural Information

Molecular Formula

C₈H₁₆N₃OPS

SMILES

C1CN1P(=S)(N2CC2)N3CCOCC3

InChI

InChI=1S/C8H16N3OPS/c14-13(9-1-2-9,10-3-4-10)11-5-7-12-8-6-11/h1-8H2

InChIKey

RQOLZRKNRJWASP-UHFFFAOYSA-N

Compound name

bis(aziridin-1-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2926
Patents: 233.07516 Da
Monoisotopic Mass: 0.4
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]+	234.082436	169.6
[M+Na]+	256.064378	175.1
[M-H]-	232.067884	173.9
[M+NH4]+	251.108983	172.2
[M+K]+	272.038318	174.2
[M+H-H2O]+	216.072420	158.8
[M+HCOO]-	278.073361	183.2
[M+CH3COO]-	292.089011	198.8
[M+Na-2H]-	254.049826	167.1
[M]+	233.07461142	170.5
[M]-	233.07570858	170.5

Literature stripe

literature stripe

Patent stripe

patents stripe